data_2j10_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 2j10 _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 . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -112.74 111.65 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.3 152.87 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 8.4 tp -152.38 100.72 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.414 ' HG2' ' CE1' ' B' ' 329' ' ' PHE . 9.5 mttp -66.28 112.08 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -111.66 110.87 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -95.42 93.35 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.45 141.61 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.18 -38.46 63.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -48.25 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttp-105 -57.51 -49.53 76.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CE2' HD12 ' B' ' 330' ' ' LEU . 7.6 t80 -63.5 -44.12 95.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.009 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.61 -31.87 66.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.412 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.2 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.4 m-85 -62.41 -27.96 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -72.76 -38.13 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.98 -30.75 50.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.24 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -31.73 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.521 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.65 -44.37 57.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.02 -31.78 66.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.672 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.12 -30.72 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.992 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.28 -33.99 63.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.761 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.46 -33.29 72.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.76 -37.23 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.34 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.4 -34.27 77.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.43 -36.11 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -80.17 -33.35 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.46 -62.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 61.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -129.98 97.5 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 90.1 m-85 -60.05 136.48 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.415 HD12 ' CE2' ' A' ' 338' ' ' PHE . 12.7 tp -143.27 123.22 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 139.94 40.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.37 129.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.26 60.25 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.59 104.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -29.63 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -62.76 -52.54 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.476 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.15 -38.52 83.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.017 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.98 -45.29 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.373 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.01 -40.53 76.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.088 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttm -65.87 -59.59 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.879 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 337' ' ' ARG . 7.6 m-85 -59.58 -24.39 63.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.071 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -71.44 -34.87 70.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.24 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.07 -31.37 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.364 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.87 -31.5 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.575 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.86 -42.92 56.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.38 -30.42 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.711 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.97 -29.68 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mt -78.56 -30.67 46.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -76.42 -31.42 57.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.37 -32.24 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -67.38 -31.33 71.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -33.24 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.04 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -30.9 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.39 -42.18 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.831 0.348 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -90.75 138.62 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -115.72 90.85 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 130.02 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -131.34 108.26 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 92.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.9 mm -73.55 117.93 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.416 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 7.7 ttp180 -92.18 97.97 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 137.93 144.94 4.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.19 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.14 -42.6 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.28 -51.91 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -62.46 -43.94 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.986 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -32.43 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.2 tpp -67.05 -60.17 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.204 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 4.9 m-85 -59.77 -27.42 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.79 -35.82 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.259 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.35 -31.02 38.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.36 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.25 -29.56 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -77.45 -38.35 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.724 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.15 -31.97 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.37 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.97 -27.83 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.722 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.12 -40.48 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.5 -27.57 60.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.791 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -76.3 -30.53 57.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.09 68.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.07 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.7 -37.75 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.01 -59.33 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 3.1 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.9 m-85 -123.74 106.12 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 11.7 m-85 -98.46 152.87 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.63 118.83 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 25.3 tp -127.28 135.38 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.91 109.2 21.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.4 HD11 HG22 ' D' ' 332' ' ' ILE . 26.1 mm -97.05 125.07 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -98.31 31.38 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.53 120.5 2.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.91 -46.09 90.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.08 -45.77 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -56.97 -45.81 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.36 -48.33 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.43 -33.56 59.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -66.48 -58.34 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.5 -30.34 69.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.4 79.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.23 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -28.23 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.298 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.53 -32.95 48.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -76.31 -36.84 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.27 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.777 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.18 -35.01 37.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.59 -26.8 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.44 -29.33 46.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.76 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.98 -37.99 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -72.64 -31.85 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.81 -31.33 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.1 69.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -75.35 -31.54 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.41 -61.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -136.04 136.76 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' B' ' 331' ' ' LYS . 16.8 m-85 -100.58 150.06 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 33.0 tp -158.43 116.28 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.412 ' HD3' ' CD1' ' B' ' 327' ' ' TYR . 5.8 ttmm -107.12 84.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.62 138.73 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -100.84 77.09 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.58 117.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . 0.406 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -59.89 -39.07 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.06 -44.11 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttm180 -58.0 -50.07 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.275 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.28 -33.2 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -66.66 -59.04 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.263 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -61.34 -30.45 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.27 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.146 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.77 -31.27 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.9 mp -76.47 -36.6 57.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.411 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -70.01 -37.29 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -70.7 -45.19 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.31 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . 0.401 ' CD2' ' CG ' ' B' ' 337' ' ' ARG . 4.5 mp -69.29 -38.16 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.36 -31.11 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -48.06 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.87 -31.66 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.88 57.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.54 -31.84 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.22 -46.64 86.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.511 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.403 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 5.8 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.803 0.335 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 60.5 m-85 -83.35 153.05 24.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 79.1 m-85 -142.04 109.81 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -81.1 129.4 34.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -138.4 114.05 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 329' ' ' PHE . 30.8 mtpt -99.92 91.2 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -90.04 137.12 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.65 31.29 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.64 121.95 3.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.5 -35.72 73.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.06 -49.31 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.401 ' CG ' ' CD2' ' A' ' 348' ' ' LEU . 3.9 mtm180 -56.77 -46.93 81.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.744 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.44 -44.26 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.388 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.36 -36.2 63.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.0 ttm -66.05 -60.45 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 5.2 m-85 -59.66 -26.95 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.783 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -68.21 -37.8 81.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.157 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.93 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.276 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.83 -29.36 61.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -74.8 -43.41 54.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.715 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.76 -32.83 65.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.78 -29.82 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.5 mt -79.06 -25.13 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.51 -35.0 35.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.23 -30.62 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -28.65 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.04 -30.44 58.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.9 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.48 -40.58 80.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.01 -72.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.504 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 67.5 m-85 -129.74 122.84 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -120.49 110.53 16.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' D' ' 331' ' ' LYS . 6.3 m-85 -73.21 141.27 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -135.37 100.08 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.5 OUTLIER -83.96 107.97 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.5 153.44 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 mtm180 -98.5 30.92 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.14 107.95 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.415 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -61.81 -44.16 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.69 -43.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.447 ' HB3' ' CE1' ' C' ' 341' ' ' PHE . 47.2 mmt-85 -56.85 -49.11 76.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' D' ' 330' ' ' LEU . 8.5 t80 -55.63 -44.05 76.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.18 -39.53 72.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.53 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.6 tpp -67.79 -59.45 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.006 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 5.3 m-85 -63.72 -16.67 61.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.388 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -81.75 -32.74 31.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.91 0.386 . . . . 0.0 110.227 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.02 -31.58 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.38 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 11.7 mt -77.6 -31.21 52.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.57 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -77.14 -37.44 53.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.39 -25.29 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.97 -30.34 31.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.93 -33.54 45.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -29.27 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.726 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -30.5 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.744 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -67.24 -33.72 75.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.68 -41.15 98.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.98 -31.36 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -42.85 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.64 58.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 60.69 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.5 m-85 -118.64 108.87 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 10.9 m-85 -75.7 111.74 11.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.443 ' CD1' ' CE2' ' C' ' 338' ' ' PHE . 15.8 tp -107.51 104.87 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.418 ' HB2' ' CE1' ' C' ' 329' ' ' PHE . 32.5 tttt -71.5 102.65 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.1 mm -86.11 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 10.5 ptm180 -132.49 78.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.25 127.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -60.49 -35.97 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -44.14 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.428 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.5 ttm180 -57.36 -48.02 80.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -59.87 -47.12 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.378 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.46 -32.62 62.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.3 ttm -67.06 -59.12 3.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.428 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.7 m-85 -61.53 -29.94 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -34.8 74.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.137 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.71 -31.57 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.0 mt -75.66 -30.45 59.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.538 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.47 -43.02 51.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.54 -30.16 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.51 -27.11 51.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.07 -38.08 53.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.97 -23.66 58.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.49 -34.5 58.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -75.36 -30.79 60.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.48 -31.94 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.55 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.58 -32.1 70.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.61 -63.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.441 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.404 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 4.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 6.5 m-85 -137.25 105.27 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.415 ' CE2' ' HE3' ' B' ' 331' ' ' LYS . 78.8 m-85 -71.14 152.91 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.9 tp -155.64 110.71 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.448 ' CG ' ' CE2' ' B' ' 329' ' ' PHE . 3.8 mtmp? -71.64 83.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 341' ' ' PHE . 3.9 mt -79.23 120.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttp-105 -92.65 129.65 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 117.37 142.29 7.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -36.22 56.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.8 -45.48 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HG2' ' CE1' ' A' ' 341' ' ' PHE . 19.1 ttp180 -58.33 -50.4 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -62.88 -44.17 96.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.119 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.6 -31.73 66.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.46 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.65 -59.25 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 1.7 m-85 -63.47 -28.05 69.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -74.32 -37.99 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.367 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.52 -32.51 48.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.446 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -28.37 48.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.584 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -77.18 -36.57 54.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.727 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.64 -36.36 60.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.716 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.54 56.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.23 -30.82 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.96 -30.44 63.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -37.09 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -63.6 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.39 -33.04 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.56 62.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -73.73 -34.08 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.06 -31.28 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.868 0.366 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.1 106.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.8 m-85 -110.78 104.55 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 331' ' ' LYS . 57.0 m-85 -61.15 142.93 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.84 109.76 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.415 ' HE3' ' CE2' ' A' ' 329' ' ' PHE . 0.8 OUTLIER -79.08 83.97 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -80.43 106.55 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 77.48 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.52 133.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.28 -38.94 65.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.06 -45.53 63.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -46.78 82.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -58.47 -45.87 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.94 -36.68 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.4 ttp -65.76 -59.87 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.156 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.7 m-85 -60.48 -27.58 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.94 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.134 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.46 -31.26 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.195 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.02 58.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.467 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.34 -42.02 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.79 -31.13 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.86 -31.15 59.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.045 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.44 -35.26 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.1 -27.71 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.781 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -43.21 63.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -65.98 -30.69 71.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.2 -32.17 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.01 -32.43 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.75 -31.52 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.85 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 18.6 m-85 -88.88 150.27 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -140.75 93.58 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.58 130.78 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 22.7 tp -132.99 132.09 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -110.3 120.26 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.82 137.86 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -98.47 34.26 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.73 135.86 12.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -75.18 -67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.79 -39.12 83.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.438 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 20.1 ttp180 -59.63 -52.41 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -61.28 -45.4 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.104 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.87 -31.8 65.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.11 -59.62 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.438 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 2.0 m-85 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.766 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.29 -37.19 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.64 -31.36 41.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.42 -30.17 53.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.539 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -76.28 -39.3 54.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.16 -31.81 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.5 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.96 -33.03 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.89 -30.84 70.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.96 -47.48 65.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.65 -31.02 71.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.3 -33.26 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.38 -31.16 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -88.68 -34.0 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.6 -67.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.879 0.371 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -158.22 152.92 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -140.08 92.05 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.53 149.49 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.8 tp -142.09 116.5 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -110.99 106.92 16.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.61 150.53 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -104.23 36.85 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.97 127.9 6.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -75.21 -47.11 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.56 -38.58 74.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.8 OUTLIER -60.08 -52.58 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.236 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.6 -35.69 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -66.08 -60.11 3.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.177 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.6 -26.81 65.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -66.82 -36.68 82.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.181 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.03 -34.19 57.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.83 -29.43 62.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.559 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -73.52 -42.58 61.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -72.13 -33.73 68.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.4 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.015 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.24 -30.51 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -73.1 -30.06 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.77 -35.78 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.03 -35.18 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -81.28 -32.58 33.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -87.44 -31.93 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.534 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.416 ' CD2' ' HE2' ' B' ' 331' ' ' LYS . 84.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -146.01 92.03 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.41 141.07 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.5 tp -159.67 123.37 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -86.83 121.44 29.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.424 HD11 HG22 ' A' ' 332' ' ' ILE . 25.2 mm -105.13 142.33 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.21 101.56 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 151.21 122.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -58.94 -44.06 91.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.59 -47.03 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.453 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.18 -45.24 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.864 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.53 64.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.379 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttm -67.08 -61.04 2.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 5.2 m-85 -59.63 -27.74 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -38.72 79.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.223 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.18 -32.27 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.213 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.497 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.94 -43.78 52.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.85 -31.41 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.11 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.24 -30.37 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -73.69 -31.14 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.12 -34.05 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.1 -32.04 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -66.05 -35.97 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.45 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -73.03 -31.91 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.11 -53.71 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.92 152.91 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -149.93 111.06 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.42 139.02 57.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -152.19 145.36 24.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.416 ' HE2' ' CD2' ' A' ' 327' ' ' TYR . 3.7 ptmm? -108.63 146.4 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.66 122.54 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.5 ttm105 -97.43 37.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -148.59 120.8 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -46.92 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -69.18 -44.1 72.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.6 ttm180 -58.14 -42.87 86.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.28 -48.2 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -53.92 -35.26 61.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.5 -57.61 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.386 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.8 m-85 -59.85 -30.67 69.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -35.29 80.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.153 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -32.47 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.308 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -31.37 62.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.555 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -73.66 -42.14 61.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.83 -29.8 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.3 -31.32 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.28 -38.88 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.84 -29.72 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -32.31 67.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.33 -38.04 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.45 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.83 -32.61 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.47 76.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.3 118.98 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -104.19 136.56 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -100.34 147.87 25.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -148.94 109.34 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.41 105.46 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.83 142.89 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 36.83 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 126.99 5.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -69.12 -47.33 65.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.36 -41.82 69.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 0.4 OUTLIER -59.39 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' D' ' 330' ' ' LEU . 7.2 t80 -61.6 -43.73 98.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.083 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -57.31 -32.39 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.357 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.1 -60.75 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.211 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -61.67 -28.39 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -70.52 -33.6 71.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.204 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.19 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.213 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.78 -32.02 57.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.499 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -75.28 -39.96 59.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -73.64 -34.08 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.75 -33.14 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.35 -30.98 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -68.59 -30.88 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -45.89 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.26 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.07 -34.72 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.23 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -70.1 -36.53 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.76 32.11 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -87.9 151.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -147.42 87.92 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.74 151.73 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' C' ' 338' ' ' PHE . 13.1 tp -152.22 116.0 4.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -106.42 85.97 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -81.95 140.29 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -98.3 35.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.36 131.62 6.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.66 -41.44 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -75.46 -47.38 27.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -45.92 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.749 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.0 -46.96 88.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -33.4 63.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.85 -58.35 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.307 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.421 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.25 -29.76 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -69.04 -36.85 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.277 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.1 -31.36 44.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.335 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.62 -29.79 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -75.94 -40.21 54.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.28 -33.26 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -31.68 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.45 -31.93 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.12 -30.2 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.56 -37.07 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.84 -35.73 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.88 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -32.61 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.498 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 30.8 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.69 102.2 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -64.61 152.51 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.3 tp -158.85 120.98 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -102.6 112.99 25.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.91 140.55 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -98.51 31.12 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -116.55 113.63 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -68.22 -41.58 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.31 -54.51 7.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -55.92 -39.09 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.92 -47.17 84.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.43 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -34.56 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.5 ttp -66.38 -57.67 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.82 -30.14 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -68.1 -39.93 82.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.231 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -76.83 -32.12 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.237 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.11 61.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.557 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -42.82 62.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.707 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -72.18 -31.13 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.94 -32.0 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.05 -30.95 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -77.97 -31.38 50.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.11 -36.12 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -29.23 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.91 -30.82 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.34 54.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -76.35 -31.65 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.57 -44.72 23.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.48 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 60.76 111.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -122.5 110.32 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -82.54 152.93 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.1 tp -154.67 139.52 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -103.97 93.78 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.93 106.65 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.414 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 4.4 ttm-85 -91.59 75.97 5.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 146.68 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -75.91 -56.88 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.08 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 ttp85 -60.24 -53.16 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.68 -44.38 97.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.012 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.1 -31.78 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.325 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -60.98 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.158 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.89 -28.63 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -68.09 -34.44 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.973 0.416 . . . . 0.0 110.216 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -80.45 -32.18 37.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.35 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.37 -29.95 57.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.517 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -76.11 -40.78 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.712 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.08 -31.48 64.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.25 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.39 -34.91 63.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -69.76 -31.13 68.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.41 -39.38 81.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.41 -37.52 83.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.52 -32.88 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.14 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.21 -47.79 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.818 0.342 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 62.06 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -153.35 92.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.26 136.31 55.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' D' ' 338' ' ' PHE . 13.3 tp -137.85 100.42 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.412 ' HG2' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -67.57 97.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.4 HG22 HD11 ' C' ' 332' ' ' ILE . 25.4 mm -85.16 114.48 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -92.36 48.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.27 117.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -59.97 -41.33 91.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.327 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -50.99 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.53 -41.43 76.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.1 t80 -62.21 -48.24 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.4 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.6 -33.48 60.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -57.87 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.22 -30.53 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.239 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -78.57 -32.15 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.23 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.15 -31.02 60.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.512 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -73.17 -42.39 62.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.85 -31.47 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.93 -31.62 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.995 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.39 -39.37 68.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.796 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -66.43 -31.07 71.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -42.65 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -60.17 -31.7 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.32 -38.37 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.18 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.5 -44.0 22.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.57 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 60.21 106.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' D' ' 328' ' ' PHE . 5.6 m-85 -122.7 95.63 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.412 ' CE2' ' HG2' ' C' ' 331' ' ' LYS . 95.6 m-85 -59.75 126.6 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' C' ' 338' ' ' PHE . 4.2 tt -128.71 104.29 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -80.71 124.14 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.08 130.16 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 31.09 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.24 115.2 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.1 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.92 -54.77 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.97 -37.51 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' C' ' 330' ' ' LEU . 11.9 t80 -64.71 -47.91 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.07 -32.96 62.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.1 ttm -67.03 -57.8 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.86 -30.41 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.27 -37.59 77.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.186 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.21 -31.36 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.238 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.42 -30.53 57.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.51 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.36 -31.74 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.34 -32.68 64.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.77 -39.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.56 -30.18 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.08 -45.08 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -70.67 -30.29 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.82 -31.01 56.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.4 -31.01 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -31.72 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.38 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.502 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -151.39 89.48 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -95.46 135.84 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -137.28 138.95 40.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.07 115.84 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.0 mt -107.47 105.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -84.56 75.17 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.62 114.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -60.08 -49.73 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.25 -42.31 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.402 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.8 ttm180 -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE2' HD12 ' B' ' 330' ' ' LEU . 12.2 t80 -59.87 -48.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.28 -33.28 58.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.73 -58.53 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.402 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -59.06 -29.77 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -65.47 -40.31 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.117 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -31.8 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.11 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 63.8 mt -73.59 -29.81 62.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.396 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.97 -46.58 51.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.11 -32.39 68.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.8 -30.07 61.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.53 -37.77 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.741 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -69.5 -29.85 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.93 -44.61 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.5 -29.22 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.92 -31.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.02 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.02 -38.72 44.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.31 -59.67 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 9.5 pt-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -90.67 134.12 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.9 m-85 -110.34 93.03 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -59.88 142.44 53.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 338' ' ' PHE . 6.8 tp -136.81 117.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -88.5 123.56 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.67 133.29 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -95.99 69.01 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.53 1.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -36.62 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.38 -46.34 55.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.35 -44.4 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.732 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.23 -47.55 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.58 -34.04 61.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttm -66.49 -58.68 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.279 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -67.1 -38.03 84.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.406 . . . . 0.0 110.17 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -78.76 -31.42 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.283 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.3 -28.65 53.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.628 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -76.92 -39.15 51.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.669 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -73.49 -33.09 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.27 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.29 -34.85 63.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.769 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.58 -30.85 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -34.07 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -65.27 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.75 -39.63 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.76 -31.47 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.87 -31.44 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.15 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -85.61 119.0 25.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -106.32 96.16 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.27 112.67 4.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -123.35 131.13 53.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' D' ' 329' ' ' PHE . 2.9 ptmm? -98.39 112.0 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.69 133.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.86 116.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.93 -46.14 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.74 -45.16 53.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -57.52 -45.13 85.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' D' ' 330' ' ' LEU . 11.3 t80 -60.64 -48.26 82.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.58 -33.46 60.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 mtp -66.76 -57.93 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.343 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.418 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.6 m-85 -61.05 -31.09 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.71 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -69.36 -41.96 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.65 -30.6 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.023 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -42.3 60.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.302 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -68.44 -38.54 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.668 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.28 -28.18 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.1 mt -81.4 -25.74 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -27.65 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.75 -37.12 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -75.74 -30.65 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -75.68 -30.51 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.9 65.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.71 -44.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.25 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 60.72 111.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -129.63 128.72 43.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' C' ' 331' ' ' LYS . 45.2 m-85 -85.72 121.89 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' C' ' 338' ' ' PHE . 11.7 tp -124.7 129.89 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 84.17 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' D' ' 341' ' ' PHE . 29.6 mm -70.58 92.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -73.01 78.15 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.34 122.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -61.83 -38.71 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -49.64 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.67 -43.42 80.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -54.6 -34.51 62.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.602 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -66.24 -59.2 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.88 -29.86 70.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -70.9 -37.47 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.81 -29.65 40.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -30.97 56.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.529 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -75.84 -40.76 54.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -31.52 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.59 55.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.64 -31.15 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.84 -30.56 67.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.6 -38.51 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.86 70.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.66 -31.74 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.72 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -80.13 -39.09 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.84 31.06 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -125.77 117.36 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.02 122.19 17.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.403 ' CD1' ' CE2' ' B' ' 338' ' ' PHE . 11.5 tp -117.89 152.12 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -136.1 125.65 25.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.26 126.34 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.417 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 6.6 ptm180 -98.59 33.36 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.71 139.68 9.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.54 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.0 -38.25 79.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.82 -50.57 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.803 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.03 -46.84 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.57 -32.7 63.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.97 -58.89 4.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.1 m-85 -60.61 -29.47 69.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.79 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.223 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.51 -31.96 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.32 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 76.6 mt -77.3 -29.1 53.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.36 -39.51 47.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.72 -31.9 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.32 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.29 -30.95 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.77 -30.81 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.44 -34.6 76.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -39.07 93.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -33.25 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.22 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -70.91 -32.62 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.97 64.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.816 0.341 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -106.1 150.68 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -137.87 152.85 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 331' ' ' LYS . 5.4 m-85 -120.37 152.95 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -164.41 104.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -87.35 97.73 10.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.88 141.68 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.53 32.65 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.15 117.08 2.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -62.55 -47.18 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.74 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.411 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 7.1 ttm180 -57.67 -48.27 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.403 ' CE2' ' CD1' ' A' ' 330' ' ' LEU . 10.0 t80 -59.92 -46.14 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.38 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -33.43 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttm -66.76 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.239 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.5 m-85 -59.83 -29.02 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.28 -35.22 79.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.198 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.24 -31.49 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.17 -29.49 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.579 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -77.22 -39.48 48.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.709 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 -31.21 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.51 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.03 -32.39 56.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.36 -31.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -32.2 73.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.4 -33.69 76.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.28 -32.06 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.4 -33.97 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.52 -58.17 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.543 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' D' ' 333' ' ' ARG . 8.2 m-85 60.62 84.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' D' ' 338' ' ' PHE . 1.5 p90 -150.5 131.33 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -93.88 154.57 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -128.72 125.85 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -60.61 108.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.64 98.14 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -73.86 93.12 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.1 127.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -60.84 -62.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -59.1 -34.69 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.447 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.55 -54.5 42.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.57 -43.32 99.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.046 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.98 -32.08 67.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.271 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.1 mtp -67.51 -61.01 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.58 -26.29 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -75.12 -39.08 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.277 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.66 -32.56 53.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.252 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -30.39 60.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.461 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.71 -42.23 64.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.558 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.75 -38.64 80.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -36.01 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -31.84 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -34.35 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -44.79 96.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -59.52 -31.54 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -38.38 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.51 -31.19 65.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -74.92 -32.1 61.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.22 31.97 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.408 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 5.7 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -107.41 152.91 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 10.6 m-85 -132.11 93.01 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -85.67 139.46 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.9 tp -127.6 132.78 49.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -69.12 113.48 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mm -109.44 87.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' C' ' 327' ' ' TYR . 0.5 OUTLIER -73.47 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.812 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.69 113.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -57.21 -29.72 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.41 -59.59 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.657 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.494 ' CD2' ' CE2' ' C' ' 328' ' ' PHE . 7.8 t80 -62.02 -45.3 94.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.3 -35.59 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.43 -59.64 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.245 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -58.71 -28.92 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.13 84.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -77.18 -35.45 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.19 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 5.1 mt -71.43 -27.95 63.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.375 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -73.23 -47.85 39.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.47 -30.77 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.16 -31.09 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.2 -34.87 59.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -73.88 -31.2 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.79 -31.53 64.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -32.08 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.33 -33.28 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.19 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.14 -31.74 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.83 -30.93 45.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 14.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -87.16 152.34 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -105.59 145.91 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' B' ' 338' ' ' PHE . 13.8 tp -161.6 126.52 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.64 92.76 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.46 132.3 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -98.71 31.12 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.67 131.51 6.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -69.12 -53.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.63 -42.75 67.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -47.13 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -59.34 -46.98 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.495 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -54.96 -34.89 63.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.96 -58.38 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.261 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.43 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.3 m-85 -62.7 -28.85 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -36.76 74.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.139 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.43 -34.27 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' B' ' 341' ' ' PHE . 16.1 mt -71.84 -34.98 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -67.54 -42.66 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.43 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.8 -45.46 78.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.57 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.627 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.9 tp -67.71 -39.51 84.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.44 -36.54 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.94 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -60.2 -34.94 74.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -39.76 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.83 -31.06 69.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -112.32 28.66 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.95 -37.29 10.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.52 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 10.9 m-85 -86.96 89.93 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -72.51 116.89 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.05 130.09 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.9 tp -143.19 142.17 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -106.76 88.66 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -73.24 119.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -93.93 106.98 18.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 139.33 145.48 4.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.93 -64.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.18 -36.28 75.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 7.8 tpt180 -60.11 -52.65 64.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 330' ' ' LEU . 9.1 t80 -61.37 -46.27 90.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.035 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.37 -31.85 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 35.3 ttm -66.67 -60.01 3.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.218 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -62.47 -30.13 71.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.39 -37.72 65.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.209 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.15 -30.08 43.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.189 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -30.79 60.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.527 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -75.2 -43.48 51.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -31.15 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.0 -30.72 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.47 -29.76 57.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.84 -33.3 68.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.42 -34.99 79.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.42 -35.13 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.35 -34.39 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.01 68.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -85.76 -53.66 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.29 123.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.16 153.53 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' D' ' 331' ' ' LYS . 3.5 m-85 -110.13 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.8 tp -160.0 134.8 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.416 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -95.29 86.89 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.34 151.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -115.27 148.9 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 144.15 8.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -44.92 52.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.37 -36.36 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.449 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.59 -55.44 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD12 ' D' ' 330' ' ' LEU . 5.1 t80 -60.88 -41.66 96.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.22 -32.75 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -61.2 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.156 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.1 m-85 -62.72 -25.6 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.5 67.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.15 -33.5 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.329 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -30.52 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.465 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.12 -39.71 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.24 -34.35 68.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.99 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.35 -39.4 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -33.79 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.85 -38.79 89.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -59.98 -36.38 77.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.61 -31.05 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.48 -43.99 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -29.38 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.4 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.529 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 59.98 106.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.94 113.16 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 13.3 m-85 -70.73 135.52 48.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' C' ' 338' ' ' PHE . 17.8 tp -134.68 126.04 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -87.29 83.8 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.16 128.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.78 74.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.23 134.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -36.44 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.58 -53.04 17.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -56.14 -47.32 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.01 -40.85 86.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.313 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.07 77.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.69 -53.81 51.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.473 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.9 m-85 -59.43 -36.01 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.704 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.78 -40.41 97.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.09 -30.36 55.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.31 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -30.56 58.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.45 -40.89 61.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.76 -26.84 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -83.02 -30.98 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.57 -28.12 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -27.46 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -79.11 -32.16 44.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -75.65 -31.48 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.76 -32.06 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.65 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.99 -36.74 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.34 74.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -103.41 88.33 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -93.95 147.6 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -153.11 145.34 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -77.5 121.46 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 25.4 mm -103.96 90.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.9 79.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.36 142.83 3.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -76.11 -66.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.87 -38.63 82.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.432 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 33.6 ttp180 -59.96 -52.84 63.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.407 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 8.2 t80 -62.15 -45.09 94.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.976 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.08 -31.45 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.364 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -67.54 -59.9 2.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.75 -28.05 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -71.6 -40.53 69.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.26 -33.01 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.291 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -30.76 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.44 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -71.88 -41.96 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.714 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -32.47 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.0 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -38.59 67.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.32 -31.59 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.87 -36.76 78.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -33.77 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -31.23 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -80.22 -30.74 38.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -30.25 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -123.17 -57.49 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.37 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.7 m-85 -110.08 100.75 9.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.35 147.32 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -148.34 127.56 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -102.96 84.79 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -91.74 118.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -93.53 47.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.33 117.98 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.96 -57.16 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.81 -41.73 87.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.97 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.797 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -58.69 -46.02 88.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.435 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.63 -34.73 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -59.47 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.21 -28.89 67.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -36.24 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.408 . . . . 0.0 110.095 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -32.42 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.267 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -30.48 63.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.467 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -73.66 -44.97 55.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.675 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.84 -30.7 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.86 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.29 -30.67 60.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -72.06 -31.0 65.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.99 -37.73 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -60.44 -31.24 70.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -72.1 -36.27 69.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.12 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -87.36 -31.59 20.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.21 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 61.16 112.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.69 109.79 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.18 111.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.6 tp -108.5 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -77.81 120.68 23.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mt -126.44 142.17 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 33.6 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.99 117.69 1.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -64.7 -40.26 95.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.0 -38.32 66.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.42 57.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD12 ' D' ' 330' ' ' LEU . 5.4 t80 -58.15 -41.36 83.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.305 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -55.93 -35.9 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -66.31 -60.98 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.059 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -60.27 -26.82 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -68.13 -33.31 74.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.115 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.44 -32.55 42.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.96 -32.29 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -73.05 -40.28 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.94 -40.21 65.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.99 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.5 tp -72.42 -36.8 68.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.82 -37.13 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.61 -34.95 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -61.14 -31.62 71.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.93 -37.24 87.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.13 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -115.63 31.64 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.4 -33.72 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.486 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.838 0.352 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 60.51 110.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -122.6 152.88 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.417 ' CE2' ' HD3' ' C' ' 331' ' ' LYS . 7.6 m-85 -106.59 146.49 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' C' ' 338' ' ' PHE . 65.0 tp -148.46 100.73 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -77.64 110.23 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.0 mm -95.1 117.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -81.92 79.41 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 155.93 138.98 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -34.34 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.29 -46.12 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.0 OUTLIER -57.71 -48.66 78.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.16 -45.36 94.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -33.23 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.361 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttp -66.45 -60.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.048 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 5.2 m-85 -61.08 -29.61 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.888 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -71.24 -34.98 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.189 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.54 -29.85 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.25 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.39 -29.82 57.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -77.52 -42.22 36.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.15 -28.71 57.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.763 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.93 -28.0 35.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.49 -33.56 48.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -72.2 -29.18 63.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.18 -35.36 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.51 -37.01 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -39.11 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -34.18 75.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.39 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.8 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.489 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 5.4 m-85 -109.04 152.97 24.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -130.69 124.58 31.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.74 131.74 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -81.97 99.12 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.3 mm -79.0 99.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.1 78.5 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.91 132.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.94 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.61 -57.1 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -56.4 -41.5 76.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' B' ' 330' ' ' LEU . 3.8 t80 -63.28 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.343 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.85 -39.83 78.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -63.69 -55.39 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.458 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -61.09 -31.35 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -40.24 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.278 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.51 -30.53 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.235 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -28.77 52.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.6 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.62 -39.87 51.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -31.87 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.66 -30.56 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.37 -28.44 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.77 -31.74 59.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.46 -31.74 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.72 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.71 -33.83 76.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.02 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.76 -51.39 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.99 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 60.88 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -123.64 101.24 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.406 ' CE1' ' HG3' ' A' ' 331' ' ' LYS . 6.1 m-85 -60.26 125.49 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 338' ' ' PHE . 7.7 tt -129.91 107.51 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 139.38 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.34 119.93 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -92.94 48.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.1 130.54 2.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -68.07 -41.53 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -48.13 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.731 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.28 -46.93 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.417 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.06 -33.31 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttm -67.14 -59.18 3.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 3.9 m-85 -60.33 -28.35 68.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.72 -36.13 80.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.208 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.51 -32.49 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.281 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 74.1 mt -76.54 -28.97 56.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.54 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -76.04 -40.52 53.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.01 -32.94 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.65 -34.13 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.54 -31.49 68.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.8 -35.57 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.82 -33.62 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.71 -36.81 85.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -75.0 -32.57 61.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.69 -69.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.84 120.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 3.1 m-85 -129.1 147.3 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HG2' ' D' ' 331' ' ' LYS . 6.6 m-85 -105.43 136.58 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.93 105.83 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' D' ' 329' ' ' PHE . 25.1 mtmm -81.66 86.14 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -85.39 141.7 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 135.3 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 109.87 135.9 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -73.61 -32.84 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.331 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.07 -42.93 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -58.99 -51.26 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.27 -43.33 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.26 -34.39 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 tpp -66.76 -61.03 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 4.4 m-85 -60.45 -27.02 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.772 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -69.74 -36.04 75.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.253 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.83 -31.81 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.342 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.34 -29.89 60.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.574 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -74.99 -42.42 57.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.93 -32.84 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.82 -30.76 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.65 -35.77 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.791 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -68.45 -31.48 70.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.28 -38.83 85.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -60.31 -33.54 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.79 -31.78 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.54 -32.69 62.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.22 -68.81 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.487 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -81.64 143.78 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 66.6 m-85 -136.46 118.92 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.403 ' CE1' ' HD3' ' C' ' 331' ' ' LYS . 10.7 m-85 -78.07 112.26 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.3 tp -107.42 107.14 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.407 ' HG2' ' CE2' ' C' ' 329' ' ' PHE . 4.4 mtmt -91.17 104.64 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.12 139.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -99.69 34.35 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.53 142.53 11.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -33.69 58.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.03 -48.09 12.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.44 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 14.6 ttp-105 -57.16 -48.28 79.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.707 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.59 -45.54 86.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.984 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.15 -30.72 64.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.356 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -67.71 -60.93 2.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 2.6 m-85 -61.29 -27.58 68.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -71.34 -40.61 70.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.231 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -31.64 55.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.589 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -75.76 -39.77 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -31.08 60.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.737 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.81 -31.11 45.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.4 -30.09 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.52 -30.91 63.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.56 76.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.55 -35.38 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.15 -41.03 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.76 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -78.97 -41.48 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.53 -41.9 75.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.46 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' B' ' 333' ' ' ARG . 8.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.09 104.7 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.27 141.01 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.3 tp -151.94 104.55 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.415 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 1.2 ttmp? -87.29 106.82 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.45 116.05 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' B' ' 327' ' ' TYR . 19.0 ptt85 -78.03 -30.77 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.29 114.24 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -60.11 -37.35 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -74.62 -52.95 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -56.28 -42.57 77.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.705 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.29 -45.53 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.01 -35.4 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 343' ' ' GLU . 32.5 mtm -67.05 -56.25 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.5 m-85 -65.3 -24.97 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -42.24 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.337 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 340' ' ' MET . 1.7 pp20? -78.4 -27.1 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.82 -30.68 51.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -74.44 -43.69 55.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -32.0 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.47 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.679 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.42 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.39 -47.85 74.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -59.17 -31.18 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.38 -37.99 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.29 -31.55 60.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.9 -31.34 31.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.26 -46.41 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.783 0.325 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 333' ' ' ARG . 34.4 m-85 61.45 116.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -123.4 112.69 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 76.1 m-85 -60.23 129.03 39.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.0 tp -141.04 102.37 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.67 104.24 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.15 139.62 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' A' ' 327' ' ' TYR . 6.7 ttt-85 -96.74 66.62 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.61 133.04 2.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -44.7 50.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.9 -46.8 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -57.18 -42.78 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.58 -48.11 83.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.47 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.33 -34.2 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -66.48 -58.13 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.4 m-85 -59.95 -29.47 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.94 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.137 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.74 -33.26 58.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.328 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -32.24 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.424 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.87 -47.45 59.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.84 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.33 -32.1 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.59 -31.17 66.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.38 -36.63 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -60.77 -31.75 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.85 -31.64 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.8 -36.29 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -31.21 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 -56.13 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.515 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 63.16 123.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -142.09 104.24 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -70.14 130.29 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.409 ' CD1' ' CE1' ' D' ' 338' ' ' PHE . 11.9 tp -130.88 145.03 51.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -122.95 112.31 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . 0.413 HD11 HG22 ' C' ' 332' ' ' ILE . 27.2 mm -101.03 139.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -98.78 30.95 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.56 132.35 4.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -67.83 -39.64 83.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.7 -45.32 53.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -57.56 -44.88 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.74 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CD2' HD23 ' D' ' 330' ' ' LEU . 12.1 t80 -60.88 -48.22 82.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -33.61 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 mtp -66.51 -58.86 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.277 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.8 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -41.17 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.87 -24.18 55.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.26 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -38.72 42.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 346' ' ' GLU . 30.2 p30 -77.84 -25.35 48.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 110.801 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.7 mt-10 -82.5 -33.85 28.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.632 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.49 -34.25 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.681 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.57 -31.83 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.94 -26.92 60.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.92 -40.97 65.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -30.15 71.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.74 -33.19 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.9 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -68.5 -54.31 17.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -68.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.71 137.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -152.79 138.21 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HB3' ' CE2' ' C' ' 329' ' ' PHE . 50.7 m-85 -106.95 144.1 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -145.98 130.26 17.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -98.33 84.61 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.99 138.69 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.9 ttm105 -95.83 42.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.68 117.13 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -66.99 -45.87 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.12 -46.89 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -57.26 -43.31 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' C' ' 330' ' ' LEU . 12.8 t80 -61.0 -48.45 81.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.3 -34.28 60.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtp -66.6 -58.38 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.279 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.425 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.6 m-85 -59.86 -30.09 68.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -67.48 -41.55 84.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.65 -24.32 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.249 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -35.81 59.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.818 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -41.32 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.583 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -71.51 -32.17 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.29 -37.26 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -30.91 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.47 -29.36 67.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -45.75 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -66.48 -30.49 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.06 -33.4 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.23 49.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.1 -31.16 25.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.83 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.501 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -133.31 115.08 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -85.28 150.33 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.52 130.05 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 93.59 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.01 138.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 31.11 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.47 115.79 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.433 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -61.62 -47.96 83.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.13 -42.84 62.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -57.91 -48.09 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 11.2 t80 -59.51 -46.94 87.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.389 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.96 -34.05 62.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.52 -58.49 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.238 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 4.2 m-85 -59.25 -30.09 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -65.46 -39.82 92.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -73.06 -31.87 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 -46.06 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.313 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -62.88 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.79 -31.51 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.89 61.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.66 -38.31 62.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.5 -32.5 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.72 -37.91 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -30.81 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.16 -31.44 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.27 -38.94 63.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.43 -33.03 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.88 -55.8 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 61.17 112.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.4 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 18.4 m-85 -126.87 123.29 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.96 135.14 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 17.1 tp -135.43 136.72 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 122.71 39.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.96 145.52 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -98.65 32.4 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.82 112.27 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -60.38 -30.83 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.59 -52.92 15.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -55.92 -40.85 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.58 -47.79 82.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.364 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -54.71 -33.83 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.5 -57.84 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.363 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.9 m-85 -61.42 -30.59 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.728 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -39.21 76.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.179 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -78.13 -31.1 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -29.65 59.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.95 -42.52 57.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.55 -32.25 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.85 -31.03 51.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.87 -30.07 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.88 -30.73 65.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -36.43 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -40.67 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.91 -40.36 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.01 43.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.526 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.821 0.344 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 7.1 m-85 -88.9 148.46 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -144.44 98.13 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -60.21 146.58 43.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.5 tp -145.13 91.66 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 84.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.21 124.48 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 35.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.35 120.92 2.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.24 -37.76 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 1.2 tpp85 -59.76 -52.02 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.37 -45.02 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.58 -33.78 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.73 -60.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.232 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.0 m-85 -60.38 -27.55 67.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -36.9 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.097 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.6 -31.59 57.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.047 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.9 -39.68 69.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.365 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.68 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -40.61 82.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.26 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.14 -38.52 78.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.91 -30.7 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.16 -52.33 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -64.68 -30.81 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.46 -31.52 65.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.89 63.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.21 -42.74 12.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.61 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -141.78 142.87 33.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -152.91 102.69 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.29 137.73 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 33.6 tp -136.7 98.03 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.44 104.63 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.53 136.89 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.7 ttt180 -98.57 31.85 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.01 126.56 2.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.52 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.31 -55.81 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -55.52 -46.36 77.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.45 -40.08 85.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.95 -41.93 79.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.704 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttm -61.6 -54.71 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.403 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.2 -36.32 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -39.37 92.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.206 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -78.32 -29.7 47.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -30.94 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.542 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -74.95 -42.57 57.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.9 -30.31 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -33.47 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.94 -27.01 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.8 -28.78 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.692 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -39.72 51.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -30.66 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.88 -31.17 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.36 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -86.77 -37.21 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.4 35.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -128.23 153.0 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.436 ' CE1' ' CE ' ' B' ' 331' ' ' LYS . 10.0 m-85 -108.56 142.18 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.86 136.42 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.53 107.21 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.62 127.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.4 OUTLIER -97.45 37.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.04 126.03 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -34.07 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -73.83 -50.49 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 9.5 mtm105 -57.12 -40.77 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD23 ' B' ' 330' ' ' LEU . 10.8 t80 -61.77 -47.78 83.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.432 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -66.91 -58.1 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.253 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.38 -28.7 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -36.3 76.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.938 0.399 . . . . 0.0 110.244 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -80.92 -30.17 35.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.103 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.73 -30.84 56.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -75.82 -42.01 51.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.697 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.28 -30.85 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.35 -29.92 42.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.965 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.71 -30.52 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.96 -30.51 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.33 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -60.72 -38.34 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.67 -32.51 70.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -83.15 -32.1 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.47 -38.73 40.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 7.2 m-85 60.33 96.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 5.5 m-85 -108.98 107.79 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.51 153.19 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 338' ' ' PHE . 21.4 tp -160.66 123.53 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.436 ' CE ' ' CE1' ' A' ' 329' ' ' PHE . 0.1 OUTLIER -88.75 93.34 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.769 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.06 95.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.01 72.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.19 128.4 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.98 -56.65 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 -41.48 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.408 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 3.1 ttm180 -57.9 -46.1 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.741 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -59.41 -48.93 79.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.6 mmm -66.95 -59.04 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.302 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.7 m-85 -59.87 -29.2 68.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -38.08 84.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.69 -30.93 52.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.297 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -33.15 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.512 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -72.13 -40.93 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.11 -36.44 69.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.5 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -30.92 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.46 -31.07 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.71 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -60.03 -35.65 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.2 -34.97 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.42 80.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.2 -35.24 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 31.06 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 5.0 m-85 -118.52 122.88 43.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.78 136.58 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' D' ' 338' ' ' PHE . 18.1 tp -129.05 103.97 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -83.93 94.28 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.98 127.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -86.18 56.35 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.01 110.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.54 -34.56 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.26 -54.45 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -55.8 -40.19 72.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.671 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' D' ' 328' ' ' PHE . 11.7 t80 -63.17 -47.66 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.94 -33.61 62.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.661 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.41 -58.01 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.3 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.695 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -67.58 -35.85 79.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.97 -29.99 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.259 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.11 -33.05 56.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.593 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -75.69 -38.47 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -76.11 -31.2 58.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.07 44.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -29.6 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.91 -26.99 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.84 -38.36 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -29.73 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.27 -31.54 64.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.16 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.68 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.56 66.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 60.85 111.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 20.2 m-85 -121.71 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -106.28 147.34 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.408 HD23 ' CE2' ' C' ' 338' ' ' PHE . 1.4 pt? -151.83 138.67 18.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -76.19 110.22 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . 0.479 HD11 HG22 ' D' ' 332' ' ' ILE . 24.7 mm -93.81 104.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -73.86 90.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.4 124.39 1.06 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -64.43 -36.72 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.63 -42.54 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.92 -51.02 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' C' ' 330' ' ' LEU . 7.6 t80 -61.05 -44.6 97.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.71 -32.68 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.378 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -67.0 -60.7 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.171 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.7 m-85 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -34.5 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -31.61 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.264 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.02 -29.92 58.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -76.31 -41.69 47.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -74.27 -30.96 62.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.66 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.8 mt -77.55 -29.79 52.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.44 -31.81 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.38 -41.16 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.29 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.62 -30.93 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.8 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -82.99 -34.75 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.416 -1.214 . . . . 0.0 112.515 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -130.06 98.42 4.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.409 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 57.1 m-85 -60.96 135.02 57.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' B' ' 338' ' ' PHE . 35.2 tp -139.1 90.69 2.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -70.65 99.19 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.9 128.11 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -94.18 75.34 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.08 123.1 0.91 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -68.2 -45.79 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.52 -43.43 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.442 ' CD ' ' CZ ' ' A' ' 341' ' ' PHE . 8.8 mmt-85 -58.57 -51.26 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' B' ' 330' ' ' LEU . 5.6 t80 -58.07 -41.51 83.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -38.66 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.509 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.6 mtm -67.36 -59.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.991 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.442 ' CZ ' ' CD ' ' A' ' 337' ' ' ARG . 7.7 m-85 -61.93 -20.9 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.171 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 338' ' ' PHE . 11.7 ttt85 -75.45 -33.46 60.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.986 0.422 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.22 -30.6 48.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.271 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.46 -36.16 68.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -71.11 -43.43 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.73 -31.22 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.18 -34.99 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -64.58 -29.66 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.51 -41.45 84.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.49 -30.06 68.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.6 -46.82 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.25 69.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.63 21.96 16.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.8 -34.38 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.54 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.78 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.0 m-85 -132.19 102.35 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.56 132.16 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' A' ' 338' ' ' PHE . 11.0 tp -131.75 100.61 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.409 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 41.7 mttt -66.85 83.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -79.4 103.05 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -79.86 64.93 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.52 112.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -60.37 -40.92 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.03 -50.43 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -56.1 -40.75 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.407 ' CE2' HD11 ' A' ' 330' ' ' LEU . 12.7 t80 -61.19 -48.59 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.434 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.8 -34.69 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.2 -58.48 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.66 -30.0 70.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.1 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.5 -33.3 60.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.277 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.1 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.439 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -39.07 90.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.02 -46.6 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.24 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 9.1 tp -70.82 -41.59 71.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.28 -27.96 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 mt -77.14 -41.04 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -29.8 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.67 -30.05 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.1 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -70.97 -34.59 71.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.02 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 15.5 m-85 61.36 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.424 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 22.3 m-85 -127.14 114.33 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.27 140.43 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' D' ' 338' ' ' PHE . 1.2 tt -149.09 126.15 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 87.09 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -71.86 132.94 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 4.9 ttt180 -103.53 76.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.56 141.32 4.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -76.67 -45.94 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.61 -46.17 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -57.68 -49.7 75.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.66 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.216 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -57.11 -32.3 66.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.505 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 ttm -67.66 -58.75 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.4 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.695 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.57 -31.94 69.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.42 -34.03 54.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.0 mp -72.8 -37.51 67.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -68.6 -38.92 81.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.2 -44.96 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.559 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.09 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.67 -37.89 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.05 -31.3 72.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.49 -40.32 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -32.51 70.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.41 -31.48 65.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.13 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -30.77 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -110.88 30.72 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 6.3 m-85 -82.68 110.14 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -93.73 109.76 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.33 151.79 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.5 tp -161.77 107.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.5 108.69 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -112.35 142.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 9.7 ttt-85 -98.66 35.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.46 112.56 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -59.4 -51.75 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.72 -46.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.3 tpp180 -57.64 -48.96 78.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 8.4 t80 -61.59 -44.44 97.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.132 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.69 -34.19 64.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -65.76 -60.15 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.8 m-85 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.5 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.078 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.56 -32.13 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.36 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -33.39 64.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.611 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -72.68 -42.51 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 -32.29 66.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.76 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.83 -32.71 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -31.05 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -72.23 -29.11 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -47.86 79.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.54 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.49 20.06 19.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.06 -37.96 9.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.821 0.343 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.484 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -146.31 108.52 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.401 ' CZ ' ' HE3' ' B' ' 331' ' ' LYS . 85.6 m-85 -62.8 152.7 35.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.415 HD13 ' CE1' ' B' ' 338' ' ' PHE . 6.7 tt -161.62 118.49 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' B' ' 329' ' ' PHE . 0.2 OUTLIER -85.48 123.85 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.63 107.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 5.3 ttt180 -82.01 59.63 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.73 132.39 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -73.85 -32.58 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.17 -52.06 11.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.31 -40.85 75.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' B' ' 330' ' ' LEU . 12.5 t80 -62.55 -47.97 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.381 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -33.21 62.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -66.74 -57.89 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.359 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.7 m-85 -62.4 -31.02 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -70.65 -35.63 72.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.227 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -80.67 -31.76 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.18 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.27 -31.05 54.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.6 -40.4 49.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -73.83 -32.82 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.638 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.76 -32.54 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.35 -33.3 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.98 -30.4 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.774 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -37.8 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -58.99 -38.28 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -44.21 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.19 71.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -70.91 -31.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.97 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.495 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 5.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 12.7 m-85 -88.07 152.6 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.8 m-85 -147.69 102.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 331' ' ' LYS . 90.0 m-85 -60.35 133.47 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 338' ' ' PHE . 18.0 tp -134.44 112.24 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.401 ' HE3' ' CZ ' ' A' ' 329' ' ' PHE . 5.1 mtpt -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 26.9 mm -78.91 127.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -98.6 32.5 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -148.37 124.76 1.93 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -60.63 -46.89 88.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -43.22 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -57.92 -44.96 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' A' ' 330' ' ' LEU . 12.6 t80 -59.85 -48.44 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.87 -32.88 61.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.38 -58.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.0 m-85 -61.82 -29.43 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -69.44 -35.57 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.224 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -31.94 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.256 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -31.57 57.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -74.05 -40.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -72.29 -35.84 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.643 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -30.33 64.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.21 -38.75 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.81 -29.91 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -48.64 55.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.74 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.24 -31.42 69.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.94 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -71.37 -46.24 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.75 33.5 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.532 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.815 0.341 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 60.7 111.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.62 123.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' D' ' 331' ' ' LYS . 0.9 OUTLIER -79.66 106.74 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.29 95.86 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -79.93 111.29 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.2 mm -103.01 132.51 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 32.88 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.12 126.17 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -63.79 -46.24 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.3 -47.61 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.407 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.741 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.52 -45.43 93.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -55.44 -34.56 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtp -66.53 -58.52 5.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.9 m-85 -62.01 -28.7 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -69.63 -34.43 74.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.977 0.418 . . . . 0.0 110.242 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.23 -32.05 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -30.81 61.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -75.21 -41.62 57.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.741 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 -31.18 64.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -33.06 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.18 -31.16 62.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.15 -30.06 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.58 -43.33 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -30.63 71.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.73 -31.63 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.28 71.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -78.99 -42.3 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.36 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -99.61 151.79 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.57 91.32 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.11 134.61 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 7.3 tp -145.81 108.75 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' C' ' 329' ' ' PHE . 7.5 ttmm -100.67 129.64 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.17 129.93 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.07 -34.03 75.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.63 114.63 6.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.575 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.88 -35.91 77.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.6 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -58.5 -45.88 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.364 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.34 -32.3 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttm -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.95 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 7.7 m-85 -57.69 -27.54 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -66.17 -38.42 88.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -32.27 61.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.9 -42.56 63.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.322 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.47 -38.32 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.37 -32.13 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -29.72 47.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -31.02 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.22 -31.26 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.17 -32.01 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.27 -32.27 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.52 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -72.04 -32.52 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.22 -32.09 43.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 6.2 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.423 ' N ' ' CD2' ' A' ' 328' ' ' PHE . 3.6 m-85 -134.2 152.38 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -104.78 135.02 46.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 21.0 tp -135.28 98.47 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' B' ' 329' ' ' PHE . 3.5 pttm -78.54 108.68 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -114.98 140.66 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 158.63 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.73 124.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.57 72.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.07 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.1 tpp180 -57.2 -47.15 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -61.67 -44.34 97.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.252 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.68 -33.87 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 tpp -66.6 -61.14 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.074 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.37 -39.39 85.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.229 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.48 -29.86 69.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.382 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.94 -51.79 29.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.619 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.92 -32.23 73.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.44 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.22 -32.09 72.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.633 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -64.26 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.8 -49.35 73.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -59.17 -31.52 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.94 -39.42 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.17 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.46 -38.94 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 37.42 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 60.5 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -105.84 126.6 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 331' ' ' LYS . 8.5 m-85 -81.95 119.93 24.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.18 93.25 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -66.43 84.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.13 135.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.415 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 2.0 ttt180 -102.08 34.62 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.76 129.39 3.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -71.0 -39.89 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.81 -53.7 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -55.42 -40.85 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 11.6 t80 -61.66 -47.14 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.396 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.35 -34.83 61.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.16 -58.75 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.288 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.26 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.712 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -69.44 -33.81 73.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -80.17 -31.65 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.172 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -33.9 61.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.468 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -74.32 -41.27 61.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.05 -31.5 66.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.703 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.49 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.84 -40.27 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.93 -30.92 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -35.47 71.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.34 -35.22 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.86 -34.33 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.23 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -85.97 -33.97 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.58 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 8.2 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -103.66 126.2 50.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' C' ' 326' ' ' GLU . 35.6 m-85 -114.75 138.0 51.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 12.5 m-85 -104.54 125.32 50.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' D' ' 338' ' ' PHE . 17.4 tp -143.95 128.46 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.23 95.84 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.44 135.47 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.4 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.8 OUTLIER -105.95 74.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.1 139.3 2.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -41.59 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.2 -48.02 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 4.7 ttm180 -56.85 -45.45 82.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.98 -46.99 88.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -33.42 62.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.59 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.75 -58.96 4.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.03 -29.54 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -37.51 78.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.989 0.423 . . . . 0.0 110.161 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.03 -31.61 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.32 60.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.465 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.38 -43.21 57.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -30.59 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.38 -30.72 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.93 -31.07 56.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.96 -29.59 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -35.87 77.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -66.15 -36.13 82.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -64.27 -34.22 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.35 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.21 31.2 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.13 -31.83 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.493 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 64.8 m-85 60.38 110.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -137.63 120.55 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.48 141.84 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -154.15 113.25 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 4.3 mtpm? -87.33 83.65 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -71.26 107.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -83.28 72.64 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.88 124.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -64.29 -46.05 85.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -43.44 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.34 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' C' ' 330' ' ' LEU . 10.9 t80 -59.2 -46.79 87.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.516 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.72 -34.22 64.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.2 ttp -67.22 -58.09 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.267 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -63.74 -29.36 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -72.41 -36.24 68.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.092 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.41 -30.36 42.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -39.03 52.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.45 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.75 -34.83 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -75.27 -31.43 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -34.81 60.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.35 -32.59 62.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.19 -29.42 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -35.5 77.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -62.87 -40.21 96.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.65 70.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -77.47 -32.31 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.0 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 33.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -88.99 102.71 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -106.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.26 137.24 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.412 ' HE3' ' CG ' ' B' ' 327' ' ' TYR . 6.5 ttpt -78.09 124.29 27.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.54 134.16 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 23.1 ptt85 -93.6 71.6 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.06 125.08 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.35 -34.8 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.86 -50.74 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -55.86 -44.0 77.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.02 -47.24 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.447 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.94 -33.51 62.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.69 -59.27 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.257 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.12 -29.82 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.818 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -35.72 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.168 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.59 -30.14 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.46 -34.95 58.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.46 -38.48 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.91 -33.24 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.6 54.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -30.85 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.99 -30.84 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.39 -36.03 81.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.53 -41.89 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.42 -31.72 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.38 -39.6 85.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.11 -41.68 25.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.523 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.427 ' CB ' ' CZ ' ' B' ' 328' ' ' PHE . 2.8 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 8.9 m-85 -96.43 148.12 23.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' CB ' ' B' ' 326' ' ' GLU . 17.7 m-85 -151.6 117.17 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.47 113.66 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.51 103.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.64 128.67 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.3 mt -126.29 118.74 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 1.2 ttt180 -92.48 82.93 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.77 132.44 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -61.1 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.323 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -33.62 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -62.48 -56.46 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.448 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.33 -42.62 98.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.07 -31.67 65.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.425 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -61.64 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 8.5 m-85 -59.5 -27.67 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.97 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -33.83 74.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 110.034 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.56 -32.09 42.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.416 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.62 -31.58 57.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.11 -38.2 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.89 -35.11 72.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.77 -38.43 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.8 -29.95 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -74.12 -46.98 39.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.33 -27.32 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -31.17 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -31.15 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.59 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -65.23 -31.85 73.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.35 -49.99 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 60.3 109.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -132.11 108.48 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -61.53 152.75 29.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' D' ' 338' ' ' PHE . 6.2 tp -139.68 84.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.54 83.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -73.86 152.06 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -117.82 82.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 157.27 144.64 3.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -74.38 -41.21 61.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.13 -40.72 62.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -51.11 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.03 -45.72 90.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.483 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -57.22 -32.88 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.59 -58.96 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -64.53 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -76.45 -36.48 57.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -75.57 -33.36 60.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.95 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.08 -44.33 54.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.209 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -65.49 -32.15 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -46.5 52.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.685 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.61 -24.72 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.58 -40.47 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -68.15 -26.52 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -72.4 -41.07 66.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -68.59 -28.33 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.49 -31.42 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.21 52.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.18 -30.54 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.86 34.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.3 m-85 -86.77 152.89 22.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 40.0 m-85 -146.84 126.37 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -83.57 116.36 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -114.97 100.15 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -71.79 107.35 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -109.23 121.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -95.43 75.76 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.01 119.82 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -60.41 -37.15 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -46.24 37.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 8.3 ttm180 -58.0 -49.71 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' C' ' 330' ' ' LEU . 6.8 t80 -59.69 -42.99 94.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.336 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.72 -34.5 65.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.74 -61.24 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.112 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 5.6 m-85 -61.41 -26.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.98 -33.89 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.078 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -81.12 -31.42 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -30.61 59.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -75.66 -43.22 48.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -72.54 -31.31 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.51 -34.41 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.6 -31.9 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.81 -31.71 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.741 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.79 -34.56 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -39.25 93.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.72 -34.08 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -73.96 -31.44 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -124.27 77.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 68.3 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -121.21 109.48 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' B' ' 331' ' ' LYS . 95.2 m-85 -82.41 101.42 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' B' ' 338' ' ' PHE . 4.6 tp -96.18 108.13 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' B' ' 329' ' ' PHE . 16.4 tttt -70.82 83.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.24 99.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.413 ' HG3' ' CD1' ' B' ' 327' ' ' TYR . 2.2 mpp_? -85.26 57.08 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -156.98 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -58.38 -46.83 85.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.55 -46.95 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.0 ttp180 -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.38 -42.21 95.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.269 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.3 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.95 -61.36 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.105 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 5.1 m-85 -62.11 -25.45 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -37.26 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.983 0.42 . . . . 0.0 109.996 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.9 -31.65 59.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -43.54 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.99 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.07 -32.7 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.39 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -35.49 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.65 -29.24 64.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.8 -41.36 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.45 -31.24 62.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.71 -36.31 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -31.27 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.61 -40.75 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.532 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.802 0.334 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.413 ' CD1' ' HG3' ' A' ' 333' ' ' ARG . 70.1 m-85 60.26 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.2 m-85 -121.01 95.77 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 331' ' ' LYS . 40.8 m-85 -65.34 150.93 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.05 108.49 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 329' ' ' PHE . 4.2 ptmm? -98.38 128.64 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.57 136.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.4 33.26 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.5 113.19 1.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.68 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -73.2 -52.26 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.07 -47.55 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.662 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 330' ' ' LEU . 8.5 t80 -61.92 -45.01 95.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.203 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.8 -33.75 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -59.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.239 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.21 -29.74 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -37.16 84.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.939 0.399 . . . . 0.0 110.033 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -76.28 -31.66 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.5 mp -75.03 -41.01 60.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.412 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.26 -32.96 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.469 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -71.91 -47.3 53.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.98 -27.38 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.07 -38.53 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.779 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -29.48 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.46 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.54 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.06 58.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -80.19 -31.53 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.5 -33.15 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.545 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 60.53 110.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -123.39 108.0 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -76.8 125.87 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' D' ' 338' ' ' PHE . 4.0 tt -113.15 139.6 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.72 114.73 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.16 113.3 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 51.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.52 144.86 7.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -69.8 -58.23 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.38 -39.82 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -59.63 -52.38 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.631 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' D' ' 330' ' ' LEU . 7.6 t80 -61.72 -44.71 96.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.054 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.83 -31.62 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.365 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -61.22 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.507 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -59.27 -28.06 66.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -37.61 82.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.135 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -78.06 -30.13 49.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.6 -36.05 60.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -71.8 -38.29 70.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.26 -30.29 63.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.07 -39.88 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.01 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.28 -25.87 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.677 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -78.29 -29.72 48.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.708 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.31 -31.61 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -72.71 -31.46 65.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.44 -36.17 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.93 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -81.33 -31.14 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.16 38.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.07 151.66 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -139.17 155.01 48.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.03 124.68 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' C' ' 338' ' ' PHE . 12.7 tp -131.08 153.1 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.81 110.26 22.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.93 95.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 104.82 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.97 133.08 2.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -74.63 -38.66 62.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.25 -45.18 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.1 OUTLIER -58.59 -51.08 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.421 ' CD1' HD11 ' C' ' 330' ' ' LEU . 5.9 t80 -60.78 -42.41 97.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.73 -32.3 65.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.21 -62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 9.5 m-85 -59.25 -27.33 65.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.934 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -68.85 -35.87 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.003 0.43 . . . . 0.0 109.969 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -31.09 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.185 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.24 -31.42 64.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -73.74 -45.65 50.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.87 -30.15 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.11 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -36.51 68.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -67.22 -31.41 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.77 -37.69 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -64.21 -36.58 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -34.68 77.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.28 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -92.17 -31.72 15.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 -56.89 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.424 ' N ' ' CD2' ' A' ' 328' ' ' PHE . 4.7 m-85 -132.44 110.83 10.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -66.07 141.09 58.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' B' ' 338' ' ' PHE . 20.7 tp -139.51 98.64 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.427 ' CD ' ' CD2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -84.47 100.89 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.76 153.32 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HB2' ' CE2' ' B' ' 327' ' ' TYR . 6.7 ttt85 -113.18 123.22 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.91 144.14 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -29.94 60.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mp0 -76.75 -46.54 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.98 -52.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' B' ' 330' ' ' LEU . 4.5 t80 -62.38 -40.94 98.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.017 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.48 -32.9 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -61.67 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.055 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 6.9 m-85 -60.9 -26.99 67.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -69.86 -34.53 73.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.5 -32.74 42.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.194 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.98 -30.76 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.495 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -73.37 -44.6 58.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.579 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.58 -34.06 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.04 66.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -38.9 76.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -62.54 -31.37 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.9 -45.16 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -59.93 -32.35 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -35.8 76.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.09 -33.51 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.31 -37.68 60.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.85 -49.39 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.483 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.427 ' CD2' ' CD ' ' A' ' 331' ' ' LYS . 6.5 m-85 63.27 127.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -135.82 127.43 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 331' ' ' LYS . 1.1 m-85 -81.63 145.3 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 338' ' ' PHE . 16.4 tp -139.94 102.13 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -82.55 98.63 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.26 131.04 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -88.79 74.25 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.36 128.35 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -33.54 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.81 -50.81 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -56.09 -44.06 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' B' ' 342' ' ' ARG . 39.4 t80 -62.03 -47.86 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.283 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.26 -33.24 63.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.619 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttm -66.03 -57.91 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.272 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.36 -33.75 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -67.67 -39.37 84.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.059 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.2 -29.35 48.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.171 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.39 -32.35 60.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.594 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -73.77 -42.26 61.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.667 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -31.3 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.2 -36.76 61.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 12.2 mt -74.74 -24.85 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -79.35 -26.22 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.636 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -43.55 40.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.02 66.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.776 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.27 -33.45 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.27 -33.2 67.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.57 -59.32 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.508 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 60.89 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.434 ' N ' ' CD2' ' C' ' 328' ' ' PHE . 5.2 m-85 -119.91 147.17 45.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 145.27 32.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' D' ' 338' ' ' PHE . 9.5 tp -149.18 106.47 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.27 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.92 123.1 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 144.9 131.4 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -66.15 -42.91 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.63 -51.43 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.473 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -55.91 -44.9 78.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' D' ' 330' ' ' LEU . 8.9 t80 -64.17 -48.38 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.972 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -30.9 59.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.58 -60.39 2.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 1.7 m-30 -59.85 -30.29 68.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -43.26 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.36 -32.07 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.288 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.51 -31.63 67.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.461 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.84 -47.44 62.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -69.16 -32.63 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.37 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -42.39 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.09 69.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -43.34 80.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.23 -40.92 91.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.99 -31.49 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.16 73.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -82.51 -37.55 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -54.96 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.71 111.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.94 135.25 47.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.96 138.95 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' C' ' 338' ' ' PHE . 21.3 tp -141.36 109.09 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -98.91 111.28 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.72 124.17 67.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -84.02 71.38 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.92 129.88 1.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -31.82 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -56.74 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.4 tpp180 -57.0 -37.59 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' C' ' 330' ' ' LEU . 8.5 t80 -66.61 -45.53 78.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.215 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -32.85 62.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 ttm -67.15 -61.68 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.461 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.98 -27.95 68.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -33.67 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.031 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -34.81 59.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' C' ' 341' ' ' PHE . 76.1 mt -71.22 -36.8 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.422 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.75 -42.25 86.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.73 -45.19 75.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.582 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -29.1 68.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.39 -38.42 81.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.768 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.73 -31.18 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.03 -42.59 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.49 -32.05 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -68.69 -31.39 70.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.94 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.64 -37.42 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -35.18 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 6.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.66 87.8 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.43 152.87 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' B' ' 338' ' ' PHE . 10.5 tp -156.25 119.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 118.77 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . 0.43 HD11 HG22 ' A' ' 332' ' ' ILE . 28.4 mm -102.38 123.3 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -95.59 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -35.55 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.42 -51.39 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.26 -42.14 76.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -62.4 -48.59 79.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.69 -32.93 60.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.699 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.73 -57.08 7.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.07 -31.69 72.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.631 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -68.43 -37.71 80.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.201 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.36 -31.26 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.224 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.67 -31.2 61.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.76 -43.32 59.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.92 -33.98 68.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.4 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -32.15 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.707 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -67.96 -30.93 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -44.85 84.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -59.68 -30.68 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.68 -39.18 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.94 72.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -81.23 -39.49 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.12 73.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 19.4 m-85 -95.57 135.02 37.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 3.4 m-85 -112.15 99.34 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -59.5 138.22 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -142.08 132.17 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -96.49 121.78 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.69 105.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 5.8 ttp85 -92.37 48.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.85 117.03 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.7 -40.02 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -52.8 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.443 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 1.0 OUTLIER -56.44 -44.6 80.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.808 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 8.2 t80 -62.2 -44.59 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.272 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -55.1 -34.17 63.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.0 ttp -66.66 -60.95 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.104 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.8 m-85 -61.54 -27.82 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.96 -33.63 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.121 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.65 -31.77 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.265 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -75.89 -31.86 59.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -74.37 -41.38 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.47 -33.97 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.98 -34.07 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.1 -40.06 78.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.32 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -42.46 92.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -59.29 -33.53 71.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -36.48 79.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.24 63.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -75.75 -32.46 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.67 -34.89 22.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.508 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -113.94 153.95 28.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -147.24 109.91 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' D' ' 331' ' ' LYS . 15.5 m-85 -70.67 153.3 42.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -156.24 100.71 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -83.07 120.59 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.95 137.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.424 ' CG ' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -98.68 31.3 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.28 118.67 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -61.2 -41.77 97.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.3 -44.39 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -57.82 -47.66 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.715 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -60.14 -46.34 89.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.74 -33.77 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 mtp -66.66 -57.65 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.382 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.3 m-85 -62.83 -30.45 71.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -70.75 -36.2 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.95 -34.28 44.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.59 -29.92 63.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -72.22 -47.64 48.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.637 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.809 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.13 -39.24 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.47 -38.64 90.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.74 -30.61 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.53 79.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.35 -35.77 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.08 -33.18 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.2 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -76.59 -44.77 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.63 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CZ ' ' CG ' ' C' ' 333' ' ' ARG . 13.2 m-85 -140.09 152.54 46.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -146.56 88.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.35 130.47 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.8 tp -131.02 129.66 42.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' C' ' 329' ' ' PHE . 21.2 mtmt -98.03 101.79 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.79 122.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -94.51 44.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.25 131.0 2.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -71.1 -34.07 70.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.96 -53.63 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.4 -38.99 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.625 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -63.55 -48.35 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.56 -33.41 60.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttm -66.36 -57.96 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.32 -31.67 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.194 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -80.65 -30.82 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.214 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -30.19 56.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.03 -41.25 43.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.45 -30.58 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.66 -30.76 46.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.8 -31.76 57.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.02 -29.28 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -35.62 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.8 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.42 -34.57 74.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.23 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -80.39 -38.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.77 87.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -146.32 103.64 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 130.83 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 5.2 tt -137.22 153.05 50.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -129.03 115.66 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.45 153.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -114.91 41.17 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.97 138.46 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -32.61 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -45.85 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.09 -49.98 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.815 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.406 ' CE1' HD12 ' B' ' 330' ' ' LEU . 7.4 t80 -61.1 -43.72 98.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.214 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.59 -32.68 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.377 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.4 ttm -67.42 -61.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.465 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.41 -26.61 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.759 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -69.96 -35.04 74.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -80.17 -31.87 38.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.306 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.403 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.17 -30.21 54.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.595 179.596 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.42 -38.72 55.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -33.79 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.779 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.55 -31.53 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.45 -30.79 60.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -71.48 -31.06 66.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.14 -38.23 85.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -60.19 -38.4 83.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.98 -31.76 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 54.9 m-85 -122.81 152.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -144.12 97.65 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 331' ' ' LYS . 3.6 m-85 -69.2 153.1 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 338' ' ' PHE . 10.4 tp -164.95 118.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -89.24 111.03 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . 0.446 HD13 HG22 ' B' ' 332' ' ' ILE . 25.6 mm -92.67 125.08 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.67 31.32 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.47 121.62 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.17 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -39.88 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.99 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -59.59 -47.35 85.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.325 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.59 -32.04 62.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.67 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.297 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.52 -29.27 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -36.28 77.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.249 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.37 -32.28 43.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.263 179.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 7.2 mt -76.31 -29.3 57.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.74 -40.77 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -32.64 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.77 -31.13 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.9 -47.0 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -67.66 -31.49 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -31.57 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.64 -30.91 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -73.92 -33.47 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.89 84.73 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.976 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.76 147.96 52.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -141.93 88.08 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 26.8 m-85 -59.46 153.02 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' D' ' 338' ' ' PHE . 7.8 tt -151.99 119.85 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' D' ' 327' ' ' TYR . 15.8 tttp -83.64 137.61 33.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.24 127.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.8 ptp85 -98.53 30.63 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.61 123.28 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -48.83 23.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.412 ' HB3' ' CE1' ' C' ' 341' ' ' PHE . 15.3 mtm180 -56.17 -47.34 78.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.757 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.423 ' CE1' ' HD3' ' C' ' 342' ' ' ARG . 12.1 t80 -59.62 -45.8 90.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.413 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' C' ' 342' ' ' ARG . 3.6 mt-10 -56.44 -29.78 62.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -76.16 -49.46 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.424 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 1.9 m-85 -67.18 -30.67 70.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . 0.423 ' HD3' ' CE1' ' C' ' 338' ' ' PHE . 17.1 ptt180 -73.97 -34.35 64.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -36.63 46.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -29.72 66.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.42 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -71.82 -49.41 38.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.647 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.0 -30.28 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.6 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.84 -36.6 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.779 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.9 -31.3 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.98 -44.65 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -60.26 -31.36 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.26 -32.11 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -31.7 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -118.24 31.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -175.21 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CD2' ' HE3' ' C' ' 331' ' ' LYS . 47.2 m-85 -154.85 152.05 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -143.33 98.42 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.47 152.94 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 31.8 tp -138.99 149.72 45.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 19.6 mttt -118.17 83.88 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.1 mt -86.76 113.6 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.83 39.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.26 123.69 2.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.06 -48.54 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.15 -44.98 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -57.61 -43.54 84.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' C' ' 330' ' ' LEU . 13.9 t80 -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.31 -34.12 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.0 tpp -66.72 -58.4 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.312 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -62.36 -29.78 70.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -71.43 -36.01 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 110.149 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.06 -30.88 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.241 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.403 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.39 -30.1 57.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.565 179.601 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -76.51 -41.03 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.754 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.2 -30.25 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.741 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.96 43.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.7 mt -77.43 -27.38 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.5 56.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.78 -37.96 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -71.75 -31.1 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.3 -31.49 65.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.35 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.29 -32.12 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.71 -56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.446 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -155.46 113.52 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.75 137.17 47.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -139.08 123.08 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -99.55 84.81 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.24 109.76 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -82.36 72.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.48 134.31 2.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.95 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.05 -47.89 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -56.78 -44.64 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -60.79 -47.43 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.389 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.98 -33.35 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtp -67.01 -58.69 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 3.0 m-85 -61.06 -28.9 69.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -36.25 75.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.266 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.09 -32.23 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.272 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.535 179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -74.14 -42.65 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.13 -32.0 68.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.15 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.59 -38.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.776 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.01 -32.38 72.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -37.78 74.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -64.67 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.13 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.12 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -82.9 -34.23 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.71 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.522 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.27 89.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -106.78 102.32 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -71.97 151.87 42.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.4 128.4 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -105.15 103.91 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.14 140.99 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.52 33.58 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.09 118.62 1.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.421 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -61.36 -38.22 86.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.03 -49.91 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.54 -43.22 79.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.677 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.72 -48.56 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.291 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.11 -33.64 58.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.68 -58.2 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.327 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.4 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.9 m-85 -59.53 -29.74 68.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.621 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -44.08 78.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.124 179.359 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.97 -24.35 52.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.258 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 tp -78.54 -32.11 47.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.74 57.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.43 -33.45 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -32.4 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -73.25 -32.46 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.15 -31.09 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.8 -46.51 71.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -60.86 -34.47 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.44 -31.61 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.4 44.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -88.22 -31.46 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.95 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.62 99.92 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.8 150.82 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.2 133.21 54.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.3 tt -146.21 132.95 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -106.78 119.75 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.78 144.33 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -107.05 37.43 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.75 134.49 6.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -70.47 -47.32 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.57 -44.81 56.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.446 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 26.3 ttp180 -57.95 -50.0 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.71 -46.44 88.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.989 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.28 -30.88 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.451 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.39 -59.58 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.455 ' CD2' ' N ' ' C' ' 341' ' ' PHE . 1.5 m-85 -61.97 -28.96 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.71 179.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -71.21 -37.87 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.54 -32.75 54.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.398 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.8 mt -75.04 -29.35 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.592 179.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -74.48 -42.1 59.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.27 -31.94 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.54 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -30.16 68.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -37.48 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -31.41 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -33.41 71.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.09 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.96 -32.38 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.29 -69.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.498 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . 0.407 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.5 mp0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.91 152.6 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 33.7 m-85 -144.73 127.04 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.42 121.89 37.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -118.5 151.53 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -130.66 83.91 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.01 131.54 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -99.13 31.6 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.68 132.01 5.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -76.21 -40.56 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.65 -55.6 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -55.55 -46.7 77.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.37 -40.1 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -40.87 77.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.8 mtm -63.13 -55.15 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.379 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -59.22 -32.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.31 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.261 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -31.3 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -32.89 63.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -71.06 -43.2 68.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.71 -31.96 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.678 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.992 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.73 -30.19 51.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.03 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.48 -36.9 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -28.31 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.39 -30.41 53.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.78 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -69.96 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.545 179.972 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.1 m-85 -117.47 95.71 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -60.05 151.52 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -166.18 129.45 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -97.68 152.98 18.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -142.76 132.9 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -98.62 33.02 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.84 124.86 3.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.38 -47.27 14.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG2' ' CE1' ' A' ' 341' ' ' PHE . 30.5 ttm180 -58.05 -50.56 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.3 -43.99 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.9 -31.29 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.452 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -59.68 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.322 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.454 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.6 m-85 -63.78 -26.97 68.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.665 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -37.71 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -78.49 -33.25 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -75.62 -30.64 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.441 179.53 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.3 -31.93 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.662 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.04 -36.44 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.44 -39.99 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.54 -30.67 70.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.84 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -65.93 -31.49 72.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -32.67 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.45 61.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -34.85 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 -36.24 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 62.51 147.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -154.87 108.4 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -82.65 151.4 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -156.19 151.77 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -120.47 108.97 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.49 101.03 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.47 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.67 127.29 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 30.7 ttt85 -71.01 -36.1 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.26 -46.71 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttm180 -57.23 -42.6 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.9 t80 -60.69 -48.27 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.91 -34.39 59.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -58.76 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.282 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.423 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 5.1 m-85 -59.08 -30.1 67.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.402 ' HD3' ' CE2' ' B' ' 338' ' ' PHE . 5.1 tpt85 -66.56 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.19 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.42 -30.04 47.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.026 179.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -39.34 62.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.518 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.29 -38.32 78.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.32 -38.16 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.81 64.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.82 -32.48 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -68.6 -31.79 71.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.3 -34.24 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -65.26 -35.87 82.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -35.27 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.8 -31.2 66.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.64 -41.44 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.23 -61.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.828 0.346 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -96.11 151.61 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.61 105.46 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' D' ' 331' ' ' LYS . 29.6 m-85 -69.95 122.48 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.0 tp -122.68 108.17 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 84.13 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -74.0 135.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.54 33.68 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.34 125.74 3.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -65.19 -47.26 77.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.16 -43.78 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -57.76 -46.82 83.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.4 t80 -59.96 -47.71 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.423 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.22 -32.88 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -66.95 -58.09 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.374 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.97 -30.45 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -35.65 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.235 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -80.39 -31.97 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.191 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -31.82 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.39 179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -74.27 -40.78 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.55 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.37 -36.62 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.571 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.16 65.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -38.03 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.62 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -30.55 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -38.33 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -33.14 71.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.88 -42.73 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.22 66.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.1 -31.49 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.63 32.82 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 60.59 111.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 21.5 m-85 -127.25 114.67 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -72.76 142.17 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.0 tp -144.32 102.2 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 329' ' ' PHE . 24.9 tttt -78.1 83.95 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -79.91 120.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -96.38 74.67 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.5 134.27 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -50.59 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 -40.88 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.38 -49.55 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.7 -46.88 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.373 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -55.55 -32.55 63.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.19 -59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.247 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.7 m-85 -60.61 -29.14 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -34.52 75.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 0.0 110.253 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -80.68 -30.86 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.301 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 344' ' ' LEU . 2.9 mp -77.73 -31.96 52.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.597 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.59 -38.14 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.99 -31.24 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.58 -32.15 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.993 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.74 -31.88 59.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -71.71 -30.06 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -36.55 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -68.53 -31.53 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.52 -31.67 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.93 -31.37 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.1 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.505 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG2' ' B' ' 333' ' ' ARG . 19.3 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.91 113.93 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.414 ' CE2' ' HG3' ' B' ' 331' ' ' LYS . 63.7 m-85 -74.42 144.4 44.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.5 tp -136.23 119.54 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.99 102.26 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -89.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 36.73 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.82 144.98 12.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -65.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.82 -36.46 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.485 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -60.51 -53.67 54.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 179.703 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.61 -45.67 91.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.867 179.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -56.8 -30.86 64.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -67.38 -61.2 2.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 2.7 m-85 -60.73 -27.78 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -37.78 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -78.23 -31.54 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.34 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.64 -32.84 58.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.482 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.23 -39.68 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.676 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.98 -31.74 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.02 -37.69 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.773 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.69 -31.21 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.92 -35.47 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -60.68 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.88 -33.49 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.71 -31.43 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -76.39 -31.66 58.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.13 33.67 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 61.64 153.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.27 94.74 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.35 152.57 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.37 115.52 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.414 ' HG3' ' CE2' ' A' ' 329' ' ' PHE . 8.7 ttmt -93.67 102.98 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.59 140.4 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG2' ' CE1' ' A' ' 327' ' ' TYR . 45.5 mtp180 -105.94 72.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -173.62 134.56 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -75.93 -38.56 57.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.06 -47.29 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.415 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.01 -48.56 78.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.707 179.85 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.01 -45.65 93.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.278 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.502 179.658 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.62 -58.85 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.245 179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.436 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.34 -29.87 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.675 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -70.54 -37.38 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.304 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.07 -31.17 44.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -76.77 -29.64 56.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -76.15 -40.05 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.95 -30.99 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.15 -30.65 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.11 -36.51 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.14 -30.57 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -76.86 -32.03 57.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.94 -31.67 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.74 -31.41 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.28 70.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.0 -32.25 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.64 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.976 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -84.29 153.04 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.34 148.57 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -112.32 152.75 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 6.3 tp -163.33 147.4 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' D' ' 327' ' ' TYR . 22.1 ttmt -114.83 128.62 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.56 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -62.9 -30.55 71.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.07 132.87 11.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -71.53 -46.85 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.67 -38.66 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.411 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -58.87 -48.65 80.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -58.85 -47.13 85.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.429 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -33.51 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.4 ttm -66.62 -59.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.2 m-85 -60.3 -28.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.28 -34.29 75.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.251 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -81.06 -31.61 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.286 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.0 mp -77.43 -30.87 53.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -77.57 -39.5 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.67 -28.18 55.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.19 -29.33 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.32 -36.97 53.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.79 -28.18 61.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -32.34 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -66.53 -31.72 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.46 -34.45 75.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -67.48 -33.15 74.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.17 -68.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' C' ' 331' ' ' LYS . 76.8 m-85 61.04 112.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.442 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 3.4 m-85 -121.71 91.96 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 150.03 48.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.5 tp -168.1 134.61 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 131.66 54.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.07 142.38 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 31.71 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.18 118.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -60.7 -37.38 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -73.32 -46.37 49.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -46.89 81.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.63 -34.25 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.615 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -59.81 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.446 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.8 m-85 -60.98 -27.69 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -69.55 -36.55 76.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.189 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.17 -31.57 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.239 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.6 -29.04 56.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -76.39 -41.72 46.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -74.59 -32.1 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.68 49.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.99 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.11 -31.31 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.5 -29.54 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -75.23 -38.93 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -71.14 -30.51 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.86 -30.97 66.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.72 -31.24 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -30.91 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.1 36.64 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 23.8 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -155.46 95.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 61.4 m-85 -63.82 146.53 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' B' ' 338' ' ' PHE . 61.1 tp -161.88 126.53 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 138.35 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.81 118.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -79.56 70.6 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.87 112.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -39.24 85.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.08 -44.26 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -57.51 -44.11 84.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.39 -49.03 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.17 -33.29 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -66.59 -58.0 6.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.322 179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.97 -31.38 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.6 -38.41 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -79.83 -29.5 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.227 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -30.5 52.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -77.45 -40.47 43.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.36 -29.75 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.2 -31.06 38.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.8 -30.03 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.688 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.37 -27.88 61.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -42.84 70.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -65.79 -30.24 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.67 -31.52 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -85.38 -39.33 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 78.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.797 0.332 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 60.29 108.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -114.47 100.02 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.39 127.06 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -141.86 140.44 32.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 4.4 mptt -109.06 122.1 46.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.14 138.87 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 0.5 OUTLIER -98.54 31.3 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.63 114.02 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -60.21 -47.98 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -63.09 -40.56 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.421 ' HD3' ' CZ ' ' B' ' 341' ' ' PHE . 4.0 mmp_? -57.81 -49.37 76.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 330' ' ' LEU . 8.7 t80 -56.02 -44.5 78.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.28 -39.27 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.8 ttm -67.23 -59.47 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.9 m-85 -62.06 -18.96 62.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -36.21 59.45 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.223 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.22 -28.68 38.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -32.32 49.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.528 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -76.12 -39.63 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.35 -31.13 60.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.06 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.13 -30.52 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.769 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.66 -28.86 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.6 -40.55 69.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -66.56 -29.63 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.9 -32.42 72.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.87 -31.57 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.91 -30.91 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.53 -179.956 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . 0.412 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 2.8 tp10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.795 0.331 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -118.62 151.19 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 9.6 m-85 -145.18 112.69 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.64 144.15 54.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' D' ' 338' ' ' PHE . 15.9 tp -139.59 113.38 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' D' ' 329' ' ' PHE . 8.4 mptt -77.18 90.99 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.31 104.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -85.31 76.71 10.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.69 136.82 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -74.91 -41.06 60.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.06 -46.98 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -57.03 -45.09 83.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.14 -47.07 87.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.451 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -34.23 62.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.54 -58.42 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.313 179.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 3.5 m-85 -60.55 -29.69 69.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -68.41 -36.18 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.255 179.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -80.35 -30.49 38.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.52 -30.01 52.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.601 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.18 -39.47 48.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.1 -29.63 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.03 -33.69 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.8 -32.47 62.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -72.1 -28.95 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.22 -42.31 65.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -31.43 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -31.67 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -31.03 69.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.0 -33.49 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.77 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.514 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 60.45 100.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.406 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.8 m-85 -107.01 89.64 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' C' ' 331' ' ' LYS . 88.3 m-85 -60.37 152.27 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 24.0 tp -161.26 138.96 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.5 143.21 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.96 96.88 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.54 128.47 2.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -60.26 -50.48 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.82 -33.19 75.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -62.23 -55.37 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD12 ' C' ' 330' ' ' LEU . 6.1 t80 -60.82 -42.4 97.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.083 179.472 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.29 -32.49 68.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.441 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 mtp -67.94 -59.61 3.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.344 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.7 m-85 -62.66 -25.8 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.726 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -72.1 -37.81 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.336 179.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.85 -29.96 40.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.305 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.62 -30.61 46.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 179.572 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -78.04 -39.49 41.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -30.07 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.632 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.59 -30.73 52.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.22 -35.18 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.99 -30.28 65.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -38.19 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -69.73 -31.18 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -32.08 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.93 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -32.21 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.46 31.05 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.97 103.3 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.94 121.25 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -132.32 134.33 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -90.77 115.92 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.4 mm -107.62 131.77 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.5 95.65 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 154.27 128.61 1.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -64.63 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.12 -39.11 85.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.94 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.808 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.76 -44.46 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.53 -31.89 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.376 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.33 -60.01 2.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.261 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.3 m-85 -63.07 -28.55 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 179.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.143 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.81 -32.41 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.364 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.02 -31.59 68.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.534 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -71.94 -47.63 51.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.29 -31.46 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.99 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.82 -34.91 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.65 -30.47 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -44.91 83.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -60.71 -35.22 75.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.74 -31.47 69.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.74 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.36 -32.4 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.16 -43.43 82.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 8.4 pt-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -107.53 152.81 23.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' B' ' 326' ' ' GLU . 15.2 m-85 -150.35 122.01 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -73.66 148.2 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.7 tp -145.36 111.05 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -85.95 83.92 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.5 127.22 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -100.25 78.31 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.48 3.17 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.28 -42.52 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.48 -43.75 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 0.3 OUTLIER -58.6 -50.87 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.72 179.83 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.64 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.142 179.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.73 -32.58 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.371 179.457 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.9 ttm -66.8 -61.25 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.123 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 6.1 m-85 -58.96 -28.1 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.523 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.56 80.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.037 179.315 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.24 -32.03 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.36 -44.31 62.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.516 179.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -65.96 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.79 -43.28 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.09 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 tp -77.79 -37.16 49.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.67 -26.8 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.54 72.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -31.73 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -76.72 -31.13 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.49 -31.21 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.19 -31.37 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.59 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.542 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.809 0.337 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 60.91 111.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.403 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 66.5 m-85 -133.15 109.37 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.419 ' CD1' ' HG3' ' D' ' 331' ' ' LYS . 50.4 m-85 -69.39 152.72 44.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -165.0 118.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 108.06 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.49 135.64 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.03 -30.56 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -71.8 130.62 17.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -75.14 -49.66 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.1 -46.09 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 3.6 tpt180 -57.97 -49.34 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.747 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 7.6 t80 -62.05 -44.15 97.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.151 179.443 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.52 -33.51 66.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttm -66.03 -60.12 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.423 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 6.6 m-85 -58.41 -29.23 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 179.598 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -65.2 -37.38 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.127 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -77.18 -31.48 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -31.15 63.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -73.14 -44.0 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.717 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.91 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -36.53 70.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.4 -29.35 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.62 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -43.52 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.36 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.53 -32.71 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -74.39 -41.14 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.47 -54.33 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 179.97 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.3 139.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 15.1 m-85 -153.03 109.23 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.99 152.47 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 7.6 tp -162.59 138.18 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -109.35 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.65 101.69 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 66.19 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.15 115.77 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -60.21 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.343 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.18 -48.25 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 5.8 ttm180 -56.48 -44.17 80.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 12.1 t80 -61.45 -48.64 80.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -32.27 59.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttm -66.85 -57.68 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.384 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 1.8 m-85 -61.88 -31.73 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -32.4 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.363 179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.43 -32.58 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.399 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 4.5 mp -73.77 -38.7 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.68 -37.49 79.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.18 -43.95 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.29 -36.75 69.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.38 -29.56 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -49.9 52.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -70.08 -31.49 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.2 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -91.08 -35.87 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.32 -60.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.53 101.95 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.93 129.47 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 116.2 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -89.04 106.91 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.47 131.67 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -96.56 94.79 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.65 134.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -74.66 -33.57 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.765 0.317 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -75.39 -54.6 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -55.04 -41.66 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.746 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.88 -47.07 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 342' ' ' ARG . 6.0 mm-40 -55.93 -30.75 62.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -72.92 -54.15 9.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.934 0.397 . . . . 0.0 110.27 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.6 m-85 -66.91 -28.52 68.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.216 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -79.42 -32.62 42.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.969 0.414 . . . . 0.0 110.195 179.492 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -33.51 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.227 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -32.3 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 179.4 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.04 -43.44 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.714 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.01 -23.23 58.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.51 -29.67 24.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -31.76 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.08 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 pp -80.1 -29.94 39.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -78.52 -29.9 46.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.17 -31.06 60.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.42 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.41 -32.43 37.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -57.05 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.17 106.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.0 m-85 -113.03 114.37 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -68.81 151.61 46.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.0 tp -160.03 103.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -71.79 103.57 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.12 115.5 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 78.18 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.43 141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -73.94 -56.54 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.03 -37.8 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.443 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -59.72 -51.92 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.36 -45.25 94.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.246 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -56.44 -31.84 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -67.01 -61.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.103 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.443 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 6.2 m-85 -59.29 -28.45 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -68.64 -34.85 76.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.229 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.56 -30.99 41.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.23 -30.24 60.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.615 179.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -75.83 -43.13 47.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.666 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.51 -30.05 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -31.3 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -31.22 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.67 -30.18 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.36 82.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -60.31 -38.66 84.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -35.87 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.83 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -84.92 -36.81 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.09 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.472 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 60.78 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -124.2 117.97 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 87.3 m-85 -64.46 127.26 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.42 ' CD1' ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -132.0 98.15 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -99.54 105.75 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.26 137.04 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 31.06 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.37 129.32 6.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -75.52 -42.48 52.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -73.93 -50.45 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -57.29 -40.37 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.728 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.33 -47.44 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.61 -34.62 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.697 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 tpp -66.17 -57.52 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.0 m-85 -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -37.01 84.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.221 179.452 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.36 -32.65 55.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.354 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -73.61 -29.32 62.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.589 179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.29 -44.64 51.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -32.07 66.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.21 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.78 -31.18 59.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.92 -31.19 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.22 -41.65 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -31.54 72.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.94 -34.28 77.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.72 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -81.02 -41.95 21.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.56 36.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.537 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.6 147.7 26.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -134.1 95.88 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.79 137.01 56.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.43 99.84 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . 0.405 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 15.3 ttmt -87.59 85.89 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.27 149.67 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -110.6 38.5 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.9 141.1 10.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -74.77 -66.98 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.9 -37.7 77.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.449 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.2 OUTLIER -60.52 -53.46 57.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.826 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' CD1' ' C' ' 330' ' ' LEU . 7.1 t80 -61.91 -43.98 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.76 -31.99 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.32 179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.9 -60.17 2.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.287 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.2 m-85 -62.46 -28.89 70.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.716 179.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -71.71 -37.2 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.169 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.86 -31.76 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.256 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.5 -30.05 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.89 -42.1 58.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.37 -32.72 66.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.69 59.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.61 -34.09 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.46 -29.36 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.56 -44.97 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -31.03 71.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.96 -31.45 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.68 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -30.12 24.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.11 36.45 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.513 179.991 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.332 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -139.2 89.29 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' B' ' 329' ' ' PHE . 0.1 OUTLIER -65.79 129.5 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 338' ' ' PHE . 17.2 tp -126.96 124.38 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 83.67 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -79.68 143.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -109.93 74.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.33 122.93 0.9 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.04 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.33 -49.49 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.1 -48.99 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 179.832 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.4 t80 -61.59 -43.49 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.185 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.71 -34.09 67.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -59.35 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.22 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.3 m-85 -63.41 -29.7 70.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.4 -33.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.072 179.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -81.54 -31.46 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 179.254 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -33.01 56.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 179.518 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -75.93 -40.38 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.438 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -32.45 67.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.646 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.82 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.15 -39.77 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.666 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.61 -30.79 71.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -40.57 94.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -59.95 -33.01 71.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -38.3 83.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.32 84.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -65.06 -32.27 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.81 -71.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.537 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.8 0.334 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 60.55 106.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 17.4 m-85 -116.77 123.63 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . 0.402 ' HB3' ' CE1' ' A' ' 329' ' ' PHE . 68.4 m-85 -77.82 134.46 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.07 115.81 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -90.74 103.24 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -103.11 99.43 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -71.4 79.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.26 135.11 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -74.5 -66.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -59.73 -37.35 78.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 tpp180 -59.31 -51.23 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE2' ' HG3' ' B' ' 342' ' ' ARG . 10.1 t80 -59.3 -46.72 87.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.257 179.587 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -55.19 -32.43 62.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.4 ttp -66.71 -60.85 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.187 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 7.0 m-85 -58.75 -27.48 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -67.9 -37.17 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.028 179.275 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.05 -32.64 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.51 -31.18 66.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.504 179.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.08 -46.87 55.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -66.63 -31.3 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.03 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -38.42 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.737 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -30.39 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.41 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.1 -36.65 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -59.82 -33.04 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.69 -33.06 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -80.25 -40.88 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.84 32.03 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -159.21 152.54 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 10.5 m-85 -141.58 98.71 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -60.21 116.61 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' D' ' 338' ' ' PHE . 4.0 tt -117.96 106.24 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' D' ' 327' ' ' TYR . 10.1 tttt -77.97 109.59 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -107.48 120.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 10.5 ttt-85 -100.37 36.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 114.83 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.471 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.21 -44.23 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -61.99 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.09 -45.59 92.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.36 -34.71 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.29 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.281 179.456 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.429 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.2 m-85 -61.33 -29.68 70.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.768 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -69.73 -36.89 76.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.971 0.415 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -78.13 -32.32 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.299 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.06 -33.29 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.545 179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.26 -37.82 68.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.505 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -40.24 84.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.37 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 179.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.98 -45.46 34.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.87 -28.47 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -31.08 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -68.46 -36.41 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.88 -36.09 80.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.64 87.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.58 -39.37 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.39 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' HE2' ' C' ' 331' ' ' LYS . 45.7 m-85 -102.78 153.0 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -144.51 89.73 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.13 152.87 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.99 111.33 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -86.63 83.59 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -70.87 131.18 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -102.4 35.76 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.36 125.9 3.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -60.63 -66.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.76 -38.66 82.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 45.2 ttp180 -60.3 -53.44 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE2' HD13 ' C' ' 330' ' ' LEU . 7.4 t80 -62.14 -43.79 98.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.034 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.57 -32.02 66.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.376 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.52 -60.43 2.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.189 179.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 2.7 m-85 -60.42 -27.16 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -69.67 -40.6 76.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.305 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -32.27 59.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.41 -31.6 62.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.472 179.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -71.56 -41.98 68.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.91 -30.1 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.01 -27.77 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.035 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -31.26 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.0 -27.61 57.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.09 -38.63 61.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -68.39 -30.73 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.93 -31.52 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.13 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -89.24 -34.52 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.45 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 13.5 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.859 0.362 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.53 138.66 50.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' B' ' 331' ' ' LYS . 23.3 m-85 -109.31 151.75 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.54 139.63 18.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -106.16 91.55 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 30.3 mm -72.11 125.95 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HD2' ' CZ ' ' B' ' 327' ' ' TYR . 25.0 ttp85 -98.69 32.48 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.58 128.04 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.88 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -36.62 79.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 2.2 ttm180 -58.78 -49.37 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -58.56 -48.6 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.55 -32.85 59.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -66.84 -58.46 4.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.337 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -60.19 -30.48 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.94 -39.69 87.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.9 -31.81 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.233 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -30.54 62.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -72.69 -44.31 61.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.58 -31.26 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.801 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.67 -29.12 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -38.04 86.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -33.48 73.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.89 -32.21 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.54 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -30.96 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.03 -63.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.436 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . 0.413 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 7.6 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.795 0.331 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 73.6 m-85 -139.95 152.83 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' B' ' 326' ' ' GLU . 40.9 m-85 -145.46 150.82 37.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -108.43 152.2 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -156.39 152.75 27.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 327' ' ' TYR . 5.1 tmmm? -143.75 145.59 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -145.33 149.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -98.9 31.3 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.19 118.81 2.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.31 75.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -74.41 -46.8 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 7.7 ttm180 -57.74 -45.81 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 9.7 t80 -60.24 -45.96 91.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.311 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.26 -35.3 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttm -65.27 -59.53 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.244 179.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 6.7 m-85 -59.0 -30.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -66.03 -33.83 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.015 0.436 . . . . 0.0 110.148 179.4 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.1 -27.24 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.24 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.5 mp -82.09 -38.05 25.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.74 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 49.0 p30 -79.85 -24.0 41.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.63 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 53.1 tt0 -82.97 -33.34 26.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.566 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.62 -32.64 47.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.58 -34.14 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.9 -30.11 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.49 -39.52 64.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -67.38 -31.11 71.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.61 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -31.7 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.72 73.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.521 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.865 0.364 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -103.97 153.0 21.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.5 126.28 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -87.69 153.0 21.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -170.92 124.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -88.25 143.4 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mm -126.38 114.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -92.73 86.28 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.9 140.82 3.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -72.08 -43.81 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.2 -43.91 60.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 19.7 ttp180 -58.7 -51.21 70.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.635 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 7.7 t80 -62.01 -43.98 97.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.15 179.394 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.38 -32.42 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -67.34 -59.81 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.263 179.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 341' ' ' PHE . 2.0 m-85 -62.89 -27.97 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.44 -38.56 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -31.2 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.317 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.19 -29.58 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.647 179.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -76.09 -38.66 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.723 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.58 -34.97 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.54 -32.71 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -30.32 62.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -70.03 -30.02 67.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.83 -43.76 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -68.84 -31.16 69.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.97 -34.46 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.49 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -30.94 48.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.74 60.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 60.77 111.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . 0.408 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 5.4 m-85 -132.46 109.14 9.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -62.45 151.7 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.8 tp -155.77 124.48 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -109.78 92.72 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -90.75 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 72.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.76 120.6 0.88 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -45.09 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.22 -45.99 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.64 -45.71 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.733 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.477 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.6 -29.02 58.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 31.1 ttm -71.38 -57.0 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.089 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.0 m-85 -63.84 -32.18 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.23 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -31.97 62.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.963 0.411 . . . . 0.0 110.094 179.476 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.92 -32.11 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.147 179.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -34.61 59.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.356 179.452 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -72.8 -39.92 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.63 -37.28 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.52 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.66 -32.85 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.688 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.73 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -42.34 88.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.26 -31.27 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.71 -38.68 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.14 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.97 -31.64 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.14 -32.7 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -126.55 153.07 45.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -128.39 142.85 50.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.7 tp -141.31 113.07 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -89.14 83.69 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -91.8 123.46 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -86.97 68.48 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.1 136.39 4.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -76.22 -47.05 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.71 -44.03 62.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 17.7 ttp180 -58.39 -50.94 71.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' B' ' 330' ' ' LEU . 8.0 t80 -62.57 -45.52 92.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.964 179.315 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.77 -31.4 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttm -67.62 -59.93 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.41 -27.88 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.44 71.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.287 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.65 -32.91 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.339 179.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.31 -29.43 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.519 179.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -73.3 -41.2 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.672 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -70.42 -38.29 74.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.96 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.52 -32.69 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.696 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.8 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.59 -37.39 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.45 -35.78 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.39 -39.08 82.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.08 70.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.13 -52.47 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.34 37.35 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.509 179.965 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.823 0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 62.91 144.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -153.53 154.02 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -156.81 119.09 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 330' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 338' ' ' PHE . 1.4 pt? -115.25 142.03 47.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -99.22 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.82 130.99 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.89 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 126.25 4.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -66.82 -41.84 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -71.85 -46.33 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -57.57 -42.87 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.73 -48.02 83.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.518 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.23 -33.68 58.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.74 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.267 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.3 -29.41 69.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.756 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -68.92 -35.06 76.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.414 . . . . 0.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.32 -32.01 38.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.323 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 -30.2 51.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.532 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -76.57 -37.85 55.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.16 -33.7 63.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.768 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.81 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.38 -31.33 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.94 -40.19 79.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -64.33 -40.16 95.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.46 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -77.47 -33.53 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.82 -58.08 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.517 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -133.26 111.1 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.26 124.7 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.32 152.41 25.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.8 tp -134.05 145.25 49.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 331' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' D' ' 329' ' ' PHE . 18.2 tttt -128.28 103.76 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.25 127.4 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -98.82 31.57 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.84 143.39 12.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -74.74 -46.44 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.04 -42.07 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.2 ttm180 -57.9 -49.18 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' HD12 ' D' ' 330' ' ' LEU . 11.0 t80 -59.28 -46.61 88.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.373 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.31 -33.12 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.3 ttp -66.73 -59.23 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 5.4 m-85 -59.51 -29.29 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.77 -35.91 81.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.199 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -32.42 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.219 179.291 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.55 -30.82 61.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.424 179.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -73.4 -44.35 58.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.98 70.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.789 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.87 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.65 -27.3 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.71 -23.04 53.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 179.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.07 -44.12 31.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -69.05 -27.98 66.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -30.97 65.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.17 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.28 -31.4 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.79 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -130.37 152.96 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -148.88 153.06 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 329' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' D' ' 329' ' ' PHE . 4.2 m-85 -124.69 151.22 45.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 330' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' C' ' 338' ' ' PHE . 3.3 tp -153.32 114.09 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -82.28 95.8 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.18 112.5 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.72 75.68 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.11 128.58 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.424 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.11 -39.45 60.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -74.56 -47.05 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 337' ' ' ARG . . . . . 0.408 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 3.6 ttm180 -57.53 -43.92 84.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.64 -47.51 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.357 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -32.68 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.567 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mmm -67.3 -59.37 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 2.5 m-85 -62.58 -28.35 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -34.56 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.275 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -80.85 -32.2 35.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.228 179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.7 mp -77.2 -30.66 54.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 179.581 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.36 -38.88 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.18 -31.66 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.79 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -31.5 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -71.75 -29.77 64.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -40.34 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.16 -32.12 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.72 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.79 -38.19 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -150.31 115.08 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -112.74 111.65 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.3 152.87 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 8.4 tp -152.38 100.72 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.414 ' HG2' ' CE1' ' B' ' 329' ' ' PHE . 9.5 mttp -66.28 112.08 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.2 mt -111.66 110.87 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -95.42 93.35 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.45 141.61 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.18 -38.46 63.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -48.25 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 8.0 ttp-105 -57.51 -49.53 76.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CE2' HD12 ' B' ' 330' ' ' LEU . 7.6 t80 -63.5 -44.12 95.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.009 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.61 -31.87 66.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.412 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.2 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.4 m-85 -62.41 -27.96 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 12.7 tpt85 -72.76 -38.13 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.229 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.98 -30.75 50.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.24 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.27 -31.73 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.521 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -73.65 -44.37 57.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -72.02 -31.78 66.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.672 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.12 -30.72 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.992 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -74.28 -33.99 63.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.761 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.46 -33.29 72.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.76 -37.23 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.34 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.4 -34.27 77.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.43 -36.11 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -80.17 -33.35 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.46 -62.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 61.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -129.98 97.5 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.414 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 90.1 m-85 -60.05 136.48 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.415 HD12 ' CE2' ' A' ' 338' ' ' PHE . 12.7 tp -143.27 123.22 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 139.94 40.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -136.37 129.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.26 60.25 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.59 104.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -29.63 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -62.76 -52.54 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.476 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.15 -38.52 83.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.017 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.98 -45.29 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.373 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.01 -40.53 76.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.088 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.3 ttm -65.87 -59.59 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.879 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' B' ' 337' ' ' ARG . 7.6 m-85 -59.58 -24.39 63.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.071 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -71.44 -34.87 70.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.24 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.07 -31.37 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.364 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -74.87 -31.5 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.575 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -74.86 -42.92 56.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -74.38 -30.42 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.711 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.97 -29.68 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mt -78.56 -30.67 46.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -76.42 -31.42 57.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.2 mt -72.37 -32.24 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -67.38 -31.33 71.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -33.24 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.04 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -30.9 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.39 -42.18 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.831 0.348 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -90.75 138.62 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -115.72 90.85 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 130.02 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.5 tp -131.34 108.26 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 92.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.9 mm -73.55 117.93 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.416 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 7.7 ttp180 -92.18 97.97 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 137.93 144.94 4.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.19 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.14 -42.6 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.467 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -59.28 -51.91 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -62.46 -43.94 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.986 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -32.43 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.2 tpp -67.05 -60.17 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.204 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' D' ' 341' ' ' PHE . 4.9 m-85 -59.77 -27.42 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.79 -35.82 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.259 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.35 -31.02 38.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.36 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.25 -29.56 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -77.45 -38.35 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.724 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.15 -31.97 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -33.37 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.97 -27.83 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.722 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.12 -40.48 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.5 -27.57 60.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.791 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -76.3 -30.53 57.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.09 68.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.07 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.7 -37.75 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.01 -59.33 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 3.1 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.9 m-85 -123.74 106.12 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 11.7 m-85 -98.46 152.87 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.63 118.83 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 25.3 tp -127.28 135.38 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.91 109.2 21.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.4 HD11 HG22 ' D' ' 332' ' ' ILE . 26.1 mm -97.05 125.07 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -98.31 31.38 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.53 120.5 2.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.91 -46.09 90.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.08 -45.77 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -56.97 -45.81 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.709 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.36 -48.33 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.43 -33.56 59.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -66.48 -58.34 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.5 -30.34 69.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.4 79.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.23 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -28.23 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.298 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.53 -32.95 48.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.639 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -76.31 -36.84 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.27 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.777 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.18 -35.01 37.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 7.4 mt -78.59 -26.8 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.71 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.44 -29.33 46.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.76 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.98 -37.99 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -72.64 -31.85 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.81 -31.33 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.1 69.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -75.35 -31.54 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.41 -61.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.832 0.349 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 145.9 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -136.04 136.76 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.42 ' CD2' ' HG2' ' B' ' 331' ' ' LYS . 16.8 m-85 -100.58 150.06 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 33.0 tp -158.43 116.28 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.412 ' HD3' ' CD1' ' B' ' 327' ' ' TYR . 5.8 ttmm -107.12 84.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.62 138.73 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -100.84 77.09 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.58 117.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . 0.406 ' HA ' ' CE1' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -59.89 -39.07 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.06 -44.11 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttm180 -58.0 -50.07 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.275 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.28 -33.2 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.0 ttp -66.66 -59.04 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.263 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -61.34 -30.45 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.27 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.146 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.77 -31.27 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.9 mp -76.47 -36.6 57.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.411 179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -70.01 -37.29 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -70.7 -45.19 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.78 -29.31 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . 0.401 ' CD2' ' CG ' ' B' ' 337' ' ' ARG . 4.5 mp -69.29 -38.16 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.36 -31.11 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -48.06 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.87 -31.66 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.88 57.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.54 -31.84 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.22 -46.64 86.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.511 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.403 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 5.8 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.803 0.335 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 60.5 m-85 -83.35 153.05 24.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.406 ' CE1' ' HA ' ' A' ' 335' ' ' ARG . 79.1 m-85 -142.04 109.81 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -81.1 129.4 34.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -138.4 114.05 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.42 ' HG2' ' CD2' ' A' ' 329' ' ' PHE . 30.8 mtpt -99.92 91.2 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -90.04 137.12 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.65 31.29 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.64 121.95 3.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.5 -35.72 73.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.06 -49.31 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.401 ' CG ' ' CD2' ' A' ' 348' ' ' LEU . 3.9 mtm180 -56.77 -46.93 81.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.744 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -59.44 -44.26 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.388 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.36 -36.2 63.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.0 ttm -66.05 -60.45 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 5.2 m-85 -59.66 -26.95 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.783 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -68.21 -37.8 81.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.157 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.93 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.276 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.83 -29.36 61.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -74.8 -43.41 54.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.715 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.76 -32.83 65.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.78 -29.82 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 31.5 mt -79.06 -25.13 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.51 -35.0 35.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 pp -78.23 -30.62 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.49 -28.65 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.04 -30.44 58.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.9 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.48 -40.58 80.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.01 -72.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.504 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 67.5 m-85 -129.74 122.84 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -120.49 110.53 16.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' D' ' 331' ' ' LYS . 6.3 m-85 -73.21 141.27 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -135.37 100.08 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.5 OUTLIER -83.96 107.97 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -114.5 153.44 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.412 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 4.4 mtm180 -98.5 30.92 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.14 107.95 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.415 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -61.81 -44.16 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.69 -43.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.447 ' HB3' ' CE1' ' C' ' 341' ' ' PHE . 47.2 mmt-85 -56.85 -49.11 76.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.443 ' CE2' ' CD1' ' D' ' 330' ' ' LEU . 8.5 t80 -55.63 -44.05 76.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.18 -39.53 72.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.53 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.6 tpp -67.79 -59.45 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.006 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 5.3 m-85 -63.72 -16.67 61.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.388 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -81.75 -32.74 31.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.91 0.386 . . . . 0.0 110.227 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.02 -31.58 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.38 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 11.7 mt -77.6 -31.21 52.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.57 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -77.14 -37.44 53.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.39 -25.29 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.97 -30.34 31.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.93 -33.54 45.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -29.27 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.726 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -30.5 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.744 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -67.24 -33.72 75.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.68 -41.15 98.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.98 -31.36 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -42.85 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.64 58.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 60.69 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.5 m-85 -118.64 108.87 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 10.9 m-85 -75.7 111.74 11.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.443 ' CD1' ' CE2' ' C' ' 338' ' ' PHE . 15.8 tp -107.51 104.87 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.418 ' HB2' ' CE1' ' C' ' 329' ' ' PHE . 32.5 tttt -71.5 102.65 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.1 mm -86.11 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 10.5 ptm180 -132.49 78.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.25 127.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -60.49 -35.97 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -44.14 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.428 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 2.5 ttm180 -57.36 -48.02 80.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -59.87 -47.12 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.378 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.46 -32.62 62.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.3 ttm -67.06 -59.12 3.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.428 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 3.7 m-85 -61.53 -29.94 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -34.8 74.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.137 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.71 -31.57 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 81.0 mt -75.66 -30.45 59.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.538 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.47 -43.02 51.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.54 -30.16 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.51 -27.11 51.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.07 -38.08 53.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.97 -23.66 58.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.49 -34.5 58.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -75.36 -30.79 60.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.48 -31.94 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.55 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.58 -32.1 70.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.61 -63.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.441 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.404 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 4.2 m-85 60.84 110.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 6.5 m-85 -137.25 105.27 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.415 ' CE2' ' HE3' ' B' ' 331' ' ' LYS . 78.8 m-85 -71.14 152.91 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 11.9 tp -155.64 110.71 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.448 ' CG ' ' CE2' ' B' ' 329' ' ' PHE . 3.8 mtmp? -71.64 83.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.411 HG22 ' CD1' ' A' ' 341' ' ' PHE . 3.9 mt -79.23 120.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttp-105 -92.65 129.65 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 117.37 142.29 7.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -36.22 56.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.8 -45.48 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HG2' ' CE1' ' A' ' 341' ' ' PHE . 19.1 ttp180 -58.33 -50.4 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.41 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -62.88 -44.17 96.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.119 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.6 -31.73 66.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.46 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.3 mtp -67.65 -59.25 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.315 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 1.7 m-85 -63.47 -28.05 69.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -74.32 -37.99 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.367 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.52 -32.51 48.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.446 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -28.37 48.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.584 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -77.18 -36.57 54.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.727 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.64 -36.36 60.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.716 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.54 56.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 25.4 mt -77.23 -30.82 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.96 -30.44 63.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -37.09 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -63.6 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.39 -33.04 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.56 62.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -73.73 -34.08 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.06 -31.28 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.868 0.366 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.1 106.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.8 m-85 -110.78 104.55 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 331' ' ' LYS . 57.0 m-85 -61.15 142.93 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.4 tt -141.84 109.76 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.415 ' HE3' ' CE2' ' A' ' 329' ' ' PHE . 0.8 OUTLIER -79.08 83.97 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -80.43 106.55 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 77.48 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.52 133.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.28 -38.94 65.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.06 -45.53 63.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -46.78 82.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -58.47 -45.87 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.94 -36.68 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.4 ttp -65.76 -59.87 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.156 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.7 m-85 -60.48 -27.58 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.94 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.134 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.46 -31.26 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.195 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.91 -31.02 58.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.467 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.34 -42.02 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.79 -31.13 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.86 -31.15 59.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.045 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.44 -35.26 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.1 -27.71 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.781 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.49 -43.21 63.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -65.98 -30.69 71.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.2 -32.17 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.01 -32.43 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.75 -31.52 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.85 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.413 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 18.6 m-85 -88.88 150.27 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -140.75 93.58 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.58 130.78 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 22.7 tp -132.99 132.09 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -110.3 120.26 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.82 137.86 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -98.47 34.26 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.73 135.86 12.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -75.18 -67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.79 -39.12 83.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.438 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 20.1 ttp180 -59.63 -52.41 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -61.28 -45.4 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.104 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.87 -31.8 65.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.11 -59.62 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.438 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 2.0 m-85 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.766 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.29 -37.19 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.64 -31.36 41.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.42 -30.17 53.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.539 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -76.28 -39.3 54.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -72.16 -31.81 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.07 -36.5 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.96 -33.03 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.89 -30.84 70.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.96 -47.48 65.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -62.65 -31.02 71.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.3 -33.26 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.38 -31.16 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -88.68 -34.0 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.6 -67.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.879 0.371 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -158.22 152.92 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -140.08 92.05 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.53 149.49 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.8 tp -142.09 116.5 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -110.99 106.92 16.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 23.1 mt -120.61 150.53 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -104.23 36.85 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.97 127.9 6.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -75.21 -47.11 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.56 -38.58 74.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.8 OUTLIER -60.08 -52.58 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.236 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.6 -35.69 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -66.08 -60.11 3.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.177 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.6 -26.81 65.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -66.82 -36.68 82.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.181 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.03 -34.19 57.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 53.4 mt -73.83 -29.43 62.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.559 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -73.52 -42.58 61.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -72.13 -33.73 68.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.48 -30.4 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.015 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.24 -30.51 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -73.1 -30.06 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.77 -35.78 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.03 -35.18 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -81.28 -32.58 33.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -87.44 -31.93 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.534 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.774 0.321 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.416 ' CD2' ' HE2' ' B' ' 331' ' ' LYS . 84.4 m-85 -89.58 153.25 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -146.01 92.03 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.41 141.07 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 16.5 tp -159.67 123.37 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -86.83 121.44 29.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.424 HD11 HG22 ' A' ' 332' ' ' ILE . 25.2 mm -105.13 142.33 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.21 101.56 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 151.21 122.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -58.94 -44.06 91.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.59 -47.03 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.453 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.18 -45.24 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.864 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.53 64.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.379 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttm -67.08 -61.04 2.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.453 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 5.2 m-85 -59.63 -27.74 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -38.72 79.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.223 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.18 -32.27 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.213 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.497 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.94 -43.78 52.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.85 -31.41 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.11 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.24 -30.37 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -73.69 -31.14 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.12 -34.05 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.1 -32.04 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -66.05 -35.97 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.45 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -73.03 -31.91 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.11 -53.71 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.92 152.91 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -149.93 111.06 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.42 139.02 57.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -152.19 145.36 24.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.416 ' HE2' ' CD2' ' A' ' 327' ' ' TYR . 3.7 ptmm? -108.63 146.4 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.66 122.54 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.5 ttm105 -97.43 37.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -148.59 120.8 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -46.92 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -69.18 -44.1 72.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.42 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.6 ttm180 -58.14 -42.87 86.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.28 -48.2 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -53.92 -35.26 61.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.5 -57.61 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.386 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.42 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.8 m-85 -59.85 -30.67 69.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -35.29 80.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.153 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -32.47 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.308 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.25 -31.37 62.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.555 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -73.66 -42.14 61.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.83 -29.8 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.3 -31.32 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.28 -38.88 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.84 -29.72 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -32.31 67.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -71.33 -38.04 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.45 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.83 -32.61 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.47 76.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -103.3 118.98 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -104.19 136.56 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -100.34 147.87 25.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -148.94 109.34 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.41 105.46 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -111.83 142.89 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 36.83 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 126.99 5.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -69.12 -47.33 65.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.36 -41.82 69.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 0.4 OUTLIER -59.39 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.418 ' CE1' HD11 ' D' ' 330' ' ' LEU . 7.2 t80 -61.6 -43.73 98.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.083 179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -57.31 -32.39 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.357 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.1 -60.75 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.211 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -61.67 -28.39 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -70.52 -33.6 71.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.204 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.19 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.213 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.4 mp -76.78 -32.02 57.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.499 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -75.28 -39.96 59.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -73.64 -34.08 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.75 -33.14 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.35 -30.98 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -68.59 -30.88 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -45.89 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.26 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.07 -34.72 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.23 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -70.1 -36.53 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.76 32.11 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -87.9 151.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -147.42 87.92 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.74 151.73 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' C' ' 338' ' ' PHE . 13.1 tp -152.22 116.0 4.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -106.42 85.97 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mt -81.95 140.29 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -98.3 35.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.36 131.62 6.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.66 -41.44 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -75.46 -47.38 27.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -56.99 -45.92 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.749 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.0 -46.96 88.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -33.4 63.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.85 -58.35 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.307 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.421 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.25 -29.76 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -69.04 -36.85 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.277 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.1 -31.36 44.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.335 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.62 -29.79 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -75.94 -40.21 54.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.28 -33.26 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -31.68 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mt -74.45 -31.93 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.12 -30.2 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.56 -37.07 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.84 -35.73 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.88 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -32.61 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.498 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 30.8 m-85 -95.63 95.32 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.69 102.2 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -64.61 152.51 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 45.3 tp -158.85 120.98 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -102.6 112.99 25.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -116.91 140.55 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -98.51 31.12 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -116.55 113.63 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -68.22 -41.58 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.31 -54.51 7.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -55.92 -39.09 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.92 -47.17 84.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.43 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -34.56 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.5 ttp -66.38 -57.67 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.82 -30.14 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -68.1 -39.93 82.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.231 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -76.83 -32.12 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.237 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.55 -30.11 61.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.557 179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -42.82 62.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.707 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -72.18 -31.13 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.94 -32.0 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -75.05 -30.95 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -77.97 -31.38 50.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -78.11 -36.12 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.77 -29.23 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.91 -30.82 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.34 54.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -76.35 -31.65 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.57 -44.72 23.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.48 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 60.76 111.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -122.5 110.32 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -82.54 152.93 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.1 tp -154.67 139.52 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -103.97 93.78 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -75.93 106.65 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.414 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 4.4 ttm-85 -91.59 75.97 5.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 146.68 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -75.91 -56.88 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.08 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 ttp85 -60.24 -53.16 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -61.68 -44.38 97.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.012 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.1 -31.78 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.325 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.98 -60.98 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.158 179.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.89 -28.63 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -68.09 -34.44 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.973 0.416 . . . . 0.0 110.216 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -80.45 -32.18 37.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.35 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.37 -29.95 57.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.517 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -76.11 -40.78 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.712 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.08 -31.48 64.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.05 -31.25 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.39 -34.91 63.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -69.76 -31.13 68.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.41 -39.38 81.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.41 -37.52 83.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.52 -32.88 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.14 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.21 -47.79 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.818 0.342 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 62.06 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -153.35 92.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.26 136.31 55.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.401 HD11 ' CE1' ' D' ' 338' ' ' PHE . 13.3 tp -137.85 100.42 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.412 ' HG2' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -67.57 97.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.4 HG22 HD11 ' C' ' 332' ' ' ILE . 25.4 mm -85.16 114.48 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -92.36 48.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.27 117.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -59.97 -41.33 91.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.327 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -50.99 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.53 -41.43 76.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 12.1 t80 -62.21 -48.24 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.4 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.6 -33.48 60.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -66.61 -57.87 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.22 -30.53 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.239 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -78.57 -32.15 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.23 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 mp -75.15 -31.02 60.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.512 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -73.17 -42.39 62.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.85 -31.47 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.93 -31.62 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.995 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -72.39 -39.37 68.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.796 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -66.43 -31.07 71.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -42.65 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -60.17 -31.7 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.32 -38.37 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.18 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.5 -44.0 22.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.57 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 60.21 106.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' D' ' 328' ' ' PHE . 5.6 m-85 -122.7 95.63 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.412 ' CE2' ' HG2' ' C' ' 331' ' ' LYS . 95.6 m-85 -59.75 126.6 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.419 HD11 ' CE2' ' C' ' 338' ' ' PHE . 4.2 tt -128.71 104.29 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -80.71 124.14 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -119.08 130.16 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 31.09 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.24 115.2 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.1 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.92 -54.77 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.97 -37.51 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.401 ' CE1' HD11 ' C' ' 330' ' ' LEU . 11.9 t80 -64.71 -47.91 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.336 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.07 -32.96 62.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.1 ttm -67.03 -57.8 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.86 -30.41 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.27 -37.59 77.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.186 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.21 -31.36 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.238 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.42 -30.53 57.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.51 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.36 -31.74 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.34 -32.68 64.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -71.77 -39.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.56 -30.18 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.08 -45.08 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.4 ptmm? -70.67 -30.29 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.82 -31.01 56.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.4 -31.01 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -31.72 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.38 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.502 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 3.3 mp0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -97.17 150.47 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 22.6 m-85 -151.39 89.48 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -95.46 135.84 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -137.28 138.95 40.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -63.07 115.84 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.0 mt -107.47 105.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -84.56 75.17 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.62 114.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -60.08 -49.73 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.25 -42.31 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.402 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.8 ttm180 -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.405 ' CE2' HD12 ' B' ' 330' ' ' LEU . 12.2 t80 -59.87 -48.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.28 -33.28 58.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.73 -58.53 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.402 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -59.06 -29.77 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -65.47 -40.31 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.117 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -31.8 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.11 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 63.8 mt -73.59 -29.81 62.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.396 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.97 -46.58 51.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.11 -32.39 68.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.8 -30.07 61.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.53 -37.77 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.741 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -69.5 -29.85 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.93 -44.61 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -69.5 -29.22 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.92 -31.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.02 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.02 -38.72 44.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.31 -59.67 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 9.5 pt-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -90.67 134.12 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.9 m-85 -110.34 93.03 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -59.88 142.44 53.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 338' ' ' PHE . 6.8 tp -136.81 117.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -88.5 123.56 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 5.1 mt -127.67 133.29 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -95.99 69.01 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.53 1.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -36.62 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.38 -46.34 55.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.35 -44.4 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.732 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -60.23 -47.55 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.58 -34.04 61.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttm -66.49 -58.68 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.279 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -67.1 -38.03 84.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.406 . . . . 0.0 110.17 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -78.76 -31.42 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.283 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 7.0 mt -77.3 -28.65 53.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.628 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -76.92 -39.15 51.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.669 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -73.49 -33.09 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.27 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.29 -34.85 63.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.769 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.58 -30.85 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -34.07 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -65.27 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.75 -39.63 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.76 -31.47 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.87 -31.44 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.86 -31.15 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -85.61 119.0 25.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -106.32 96.16 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.27 112.67 4.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 18.1 tp -123.35 131.13 53.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.4 ' HB3' ' CE1' ' D' ' 329' ' ' PHE . 2.9 ptmm? -98.39 112.0 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.69 133.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.86 116.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.93 -46.14 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.74 -45.16 53.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 18.3 mtm-85 -57.52 -45.13 85.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD11 ' D' ' 330' ' ' LEU . 11.3 t80 -60.64 -48.26 82.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.58 -33.46 60.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 mtp -66.76 -57.93 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.343 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.418 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.6 m-85 -61.05 -31.09 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.71 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -69.36 -41.96 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.65 -30.6 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.023 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -42.3 60.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.302 179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -68.44 -38.54 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.668 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.28 -28.18 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.077 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.1 mt -81.4 -25.74 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -27.65 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.75 -37.12 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -75.74 -30.65 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -75.68 -30.51 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.9 65.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.71 -44.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.25 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 60.72 111.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -129.63 128.72 43.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HB3' ' C' ' 331' ' ' LYS . 45.2 m-85 -85.72 121.89 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.417 HD11 ' CE1' ' C' ' 338' ' ' PHE . 11.7 tp -124.7 129.89 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 84.17 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.406 HG22 ' CD2' ' D' ' 341' ' ' PHE . 29.6 mm -70.58 92.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -73.01 78.15 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.34 122.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -61.83 -38.71 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -49.64 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.67 -43.42 80.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.2 t80 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -54.6 -34.51 62.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.602 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -66.24 -59.2 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.418 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.88 -29.86 70.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -70.9 -37.47 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.81 -29.65 40.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.96 -30.97 56.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.529 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -75.84 -40.76 54.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -31.52 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.23 -32.59 55.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -74.64 -31.15 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.84 -30.56 67.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.6 -38.51 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.86 70.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.66 -31.74 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.72 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -80.13 -39.09 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.84 31.06 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 61.13 112.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -125.77 117.36 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.02 122.19 17.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.403 ' CD1' ' CE2' ' B' ' 338' ' ' PHE . 11.5 tp -117.89 152.12 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.419 ' HG2' ' CE2' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -136.1 125.65 25.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -122.26 126.34 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.417 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 6.6 ptm180 -98.59 33.36 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.71 139.68 9.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.54 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.0 -38.25 79.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.82 -50.57 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.803 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.03 -46.84 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.57 -32.7 63.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.97 -58.89 4.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.1 m-85 -60.61 -29.47 69.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.79 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.223 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.51 -31.96 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.32 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 76.6 mt -77.3 -29.1 53.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.36 -39.51 47.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.72 -31.9 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.32 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.29 -30.95 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.77 -30.81 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.44 -34.6 76.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -39.07 93.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -33.25 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.22 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -70.91 -32.62 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.97 64.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.816 0.341 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -106.1 150.68 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -137.87 152.85 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.419 ' CE2' ' HG2' ' A' ' 331' ' ' LYS . 5.4 m-85 -120.37 152.95 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -164.41 104.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -87.35 97.73 10.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -84.88 141.68 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.53 32.65 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.15 117.08 2.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -62.55 -47.18 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.74 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.411 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 7.1 ttm180 -57.67 -48.27 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.403 ' CE2' ' CD1' ' A' ' 330' ' ' LEU . 10.0 t80 -59.92 -46.14 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.38 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -33.43 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttm -66.76 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.239 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.411 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.5 m-85 -59.83 -29.02 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.28 -35.22 79.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.198 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.24 -31.49 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 11.4 mt -77.17 -29.49 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.579 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -77.22 -39.48 48.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.709 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.85 -31.21 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.51 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -77.03 -32.39 56.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -71.36 -31.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -32.2 73.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.4 -33.69 76.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.28 -32.06 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.4 -33.97 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.52 -58.17 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.543 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' D' ' 333' ' ' ARG . 8.2 m-85 60.62 84.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' D' ' 338' ' ' PHE . 1.5 p90 -150.5 131.33 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -93.88 154.57 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.412 HD23 ' CD2' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -128.72 125.85 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -60.61 108.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.64 98.14 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -73.86 93.12 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.1 127.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -60.84 -62.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -59.1 -34.69 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.447 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.55 -54.5 42.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.57 -43.32 99.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.046 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.98 -32.08 67.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.271 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.1 mtp -67.51 -61.01 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.58 -26.29 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -75.12 -39.08 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.277 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.66 -32.56 53.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.252 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.26 -30.39 60.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.461 179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.71 -42.23 64.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.558 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.75 -38.64 80.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.47 -36.01 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.62 -31.84 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -34.35 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -44.79 96.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -59.52 -31.54 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -38.38 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.51 -31.19 65.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -74.92 -32.1 61.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.22 31.97 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.408 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 5.7 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -107.41 152.91 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 10.6 m-85 -132.11 93.01 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -85.67 139.46 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.9 tp -127.6 132.78 49.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -69.12 113.48 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mm -109.44 87.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.408 ' HB3' ' CE2' ' C' ' 327' ' ' TYR . 0.5 OUTLIER -73.47 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.812 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.69 113.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -57.21 -29.72 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.41 -59.59 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.657 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.494 ' CD2' ' CE2' ' C' ' 328' ' ' PHE . 7.8 t80 -62.02 -45.3 94.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.3 -35.59 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.43 -59.64 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.245 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -58.71 -28.92 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.13 84.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -77.18 -35.45 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.19 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 5.1 mt -71.43 -27.95 63.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.375 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -73.23 -47.85 39.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.47 -30.77 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.16 -31.09 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -76.2 -34.87 59.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -73.88 -31.2 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.79 -31.53 64.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.87 -32.08 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.33 -33.28 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.19 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.14 -31.74 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.83 -30.93 45.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.807 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 14.0 m-85 -92.59 105.71 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -87.16 152.34 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -105.59 145.91 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' B' ' 338' ' ' PHE . 13.8 tp -161.6 126.52 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.64 92.76 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.1 mm -74.46 132.3 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.9 OUTLIER -98.71 31.12 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.67 131.51 6.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -69.12 -53.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.63 -42.75 67.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -47.13 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -59.34 -46.98 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.495 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -54.96 -34.89 63.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.96 -58.38 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.261 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.43 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 2.3 m-85 -62.7 -28.85 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -36.76 74.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.139 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.43 -34.27 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.409 HD11 ' CE2' ' B' ' 341' ' ' PHE . 16.1 mt -71.84 -34.98 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -67.54 -42.66 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.43 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.8 -45.46 78.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.57 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.627 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 8.9 tp -67.71 -39.51 84.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.72 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.44 -36.54 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.94 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -60.2 -34.94 74.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -39.76 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.83 -31.06 69.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -112.32 28.66 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.95 -37.29 10.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.52 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 10.9 m-85 -86.96 89.93 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -72.51 116.89 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.05 130.09 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.9 tp -143.19 142.17 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -106.76 88.66 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -73.24 119.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.417 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -93.93 106.98 18.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 139.33 145.48 4.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.93 -64.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.18 -36.28 75.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 7.8 tpt180 -60.11 -52.65 64.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 330' ' ' LEU . 9.1 t80 -61.37 -46.27 90.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.035 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.37 -31.85 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 35.3 ttm -66.67 -60.01 3.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.218 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -62.47 -30.13 71.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.39 -37.72 65.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.209 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.15 -30.08 43.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.189 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.32 -30.79 60.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.527 179.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -75.2 -43.48 51.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -31.15 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.0 -30.72 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 16.7 mt -76.47 -29.76 57.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.84 -33.3 68.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.42 -34.99 79.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.42 -35.13 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.35 -34.39 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.01 68.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -85.76 -53.66 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.29 123.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.16 153.53 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' D' ' 331' ' ' LYS . 3.5 m-85 -110.13 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.8 tp -160.0 134.8 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.416 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -95.29 86.89 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.34 151.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -115.27 148.9 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 144.15 8.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -44.92 52.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.37 -36.36 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.449 ' HG3' ' CE2' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.59 -55.44 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD12 ' D' ' 330' ' ' LEU . 5.1 t80 -60.88 -41.66 96.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.22 -32.75 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.8 -61.2 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.156 179.336 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.1 m-85 -62.72 -25.6 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.5 67.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -80.15 -33.5 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.329 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.25 -30.52 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.465 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.12 -39.71 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -72.24 -34.35 68.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.99 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 20.9 mt -71.35 -39.4 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -33.79 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -65.85 -38.79 89.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -59.98 -36.38 77.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.61 -31.05 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.48 -43.99 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -29.38 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.4 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.529 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 59.98 106.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.94 113.16 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 13.3 m-85 -70.73 135.52 48.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' C' ' 338' ' ' PHE . 17.8 tp -134.68 126.04 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -87.29 83.8 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 32.2 mm -70.16 128.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.78 74.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.23 134.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -36.44 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.58 -53.04 17.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 15.1 ptp180 -56.14 -47.32 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.81 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -59.01 -40.85 86.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.313 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.07 77.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.69 -53.81 51.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.473 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.9 m-85 -59.43 -36.01 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.704 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -62.78 -40.41 97.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.09 -30.36 55.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.31 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.01 -30.56 58.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -74.45 -40.89 61.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -75.76 -26.84 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -83.02 -30.98 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 5.5 mt -81.57 -28.12 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -27.46 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mt -79.11 -32.16 44.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -75.65 -31.48 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.76 -32.06 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.65 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.99 -36.74 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.34 74.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.857 0.361 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 60.42 97.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -103.41 88.33 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -93.95 147.6 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -153.11 145.34 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -77.5 121.46 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 25.4 mm -103.96 90.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.9 79.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.36 142.83 3.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -76.11 -66.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.87 -38.63 82.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.432 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 33.6 ttp180 -59.96 -52.84 63.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.407 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 8.2 t80 -62.15 -45.09 94.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.976 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.08 -31.45 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.364 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 11.2 ttp -67.54 -59.9 2.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.432 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.75 -28.05 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -71.6 -40.53 69.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.26 -33.01 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.291 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.41 -30.76 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.44 179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -71.88 -41.96 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.714 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -32.47 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.95 -31.0 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -38.59 67.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.32 -31.59 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.87 -36.76 78.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -33.77 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -31.23 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -80.22 -30.74 38.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -30.25 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -123.17 -57.49 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.37 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.7 m-85 -110.08 100.75 9.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.35 147.32 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.7 tp -148.34 127.56 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -102.96 84.79 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -91.74 118.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -93.53 47.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.33 117.98 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.96 -57.16 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.81 -41.73 87.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.413 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.97 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.797 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -58.69 -46.02 88.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.435 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.63 -34.73 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -59.47 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.21 -28.89 67.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -36.24 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.408 . . . . 0.0 110.095 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -32.42 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.267 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -30.48 63.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.467 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 25.4 m-80 -73.66 -44.97 55.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.675 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.84 -30.7 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.24 -31.86 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.29 -30.67 60.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -72.06 -31.0 65.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.99 -37.73 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -60.44 -31.24 70.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -72.1 -36.27 69.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.12 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -87.36 -31.59 20.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.21 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 61.16 112.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.69 109.79 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.18 111.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.6 tp -108.5 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.417 ' HD3' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -77.81 120.68 23.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mt -126.44 142.17 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 33.6 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.99 117.69 1.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -64.7 -40.26 95.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.0 -38.32 66.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.444 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.42 57.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD12 ' D' ' 330' ' ' LEU . 5.4 t80 -58.15 -41.36 83.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.305 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -55.93 -35.9 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -66.31 -60.98 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.059 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.444 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -60.27 -26.82 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -68.13 -33.31 74.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.115 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.44 -32.55 42.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.1 mt -75.96 -32.29 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -73.05 -40.28 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.94 -40.21 65.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.99 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 8.5 tp -72.42 -36.8 68.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.82 -37.13 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.61 -34.95 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -61.14 -31.62 71.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.93 -37.24 87.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.13 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -115.63 31.64 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.4 -33.72 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.486 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.838 0.352 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 60.51 110.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -122.6 152.88 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.417 ' CE2' ' HD3' ' C' ' 331' ' ' LYS . 7.6 m-85 -106.59 146.49 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.417 HD12 ' CE1' ' C' ' 338' ' ' PHE . 65.0 tp -148.46 100.73 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -77.64 110.23 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 25.0 mm -95.1 117.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -81.92 79.41 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 155.93 138.98 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -34.34 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.29 -46.12 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.0 OUTLIER -57.71 -48.66 78.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.16 -45.36 94.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -33.23 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.361 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttp -66.45 -60.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.048 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 5.2 m-85 -61.08 -29.61 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.888 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -71.24 -34.98 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.189 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.54 -29.85 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.25 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.39 -29.82 57.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -77.52 -42.22 36.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.15 -28.71 57.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.763 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.93 -28.0 35.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.0 mt -78.49 -33.56 48.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -72.2 -29.18 63.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.18 -35.36 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 13.0 mttm -60.51 -37.01 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -39.11 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -34.18 75.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.39 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.8 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.489 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -131.91 114.76 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 5.4 m-85 -109.04 152.97 24.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -130.69 124.58 31.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.74 131.74 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.406 ' HG3' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -81.97 99.12 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.3 mm -79.0 99.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.1 78.5 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.91 132.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.94 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.61 -57.1 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.6 ptp85 -56.4 -41.5 76.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.417 ' CE1' HD13 ' B' ' 330' ' ' LEU . 3.8 t80 -63.28 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.343 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.85 -39.83 78.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -63.69 -55.39 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.458 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -61.09 -31.35 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -40.24 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.278 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.51 -30.53 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.235 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.38 -28.77 52.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.6 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.62 -39.87 51.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -31.87 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.66 -30.56 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 19.1 mt -78.37 -28.44 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.77 -31.74 59.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.46 -31.74 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -31.72 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.71 -33.83 76.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.02 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.76 -51.39 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.99 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 60.88 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -123.64 101.24 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.406 ' CE1' ' HG3' ' A' ' 331' ' ' LYS . 6.1 m-85 -60.26 125.49 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.417 HD13 ' CE1' ' A' ' 338' ' ' PHE . 7.7 tt -129.91 107.51 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 139.38 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.34 119.93 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -92.94 48.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.1 130.54 2.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -68.07 -41.53 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -48.13 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.731 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.28 -46.93 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.417 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.06 -33.31 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttm -67.14 -59.18 3.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 3.9 m-85 -60.33 -28.35 68.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.72 -36.13 80.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.208 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.51 -32.49 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.281 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 74.1 mt -76.54 -28.97 56.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.54 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 12.8 m-20 -76.04 -40.52 53.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.01 -32.94 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.65 -34.13 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.54 -31.49 68.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.8 -35.57 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.82 -33.62 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.71 -36.81 85.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -75.0 -32.57 61.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.69 -69.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.84 120.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 3.1 m-85 -129.1 147.3 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HG2' ' D' ' 331' ' ' LYS . 6.6 m-85 -105.43 136.58 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 13.8 tp -135.93 105.83 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.403 ' HD3' ' CE1' ' D' ' 329' ' ' PHE . 25.1 mtmm -81.66 86.14 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.7 mt -85.39 141.7 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 135.3 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 109.87 135.9 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -73.61 -32.84 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.331 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.07 -42.93 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.441 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -58.99 -51.26 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.27 -43.33 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.26 -34.39 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 tpp -66.76 -61.03 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 4.4 m-85 -60.45 -27.02 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.772 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -69.74 -36.04 75.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.253 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.83 -31.81 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.342 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 77.8 mt -75.34 -29.89 60.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.574 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -74.99 -42.42 57.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.93 -32.84 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.82 -30.76 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.65 -35.77 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.791 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -68.45 -31.48 70.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.28 -38.83 85.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -60.31 -33.54 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.79 -31.78 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.54 -32.69 62.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.22 -68.81 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.487 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -81.64 143.78 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.405 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 66.6 m-85 -136.46 118.92 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.403 ' CE1' ' HD3' ' C' ' 331' ' ' LYS . 10.7 m-85 -78.07 112.26 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.3 tp -107.42 107.14 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.407 ' HG2' ' CE2' ' C' ' 329' ' ' PHE . 4.4 mtmt -91.17 104.64 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.12 139.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -99.69 34.35 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.53 142.53 11.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -33.69 58.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.03 -48.09 12.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.44 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 14.6 ttp-105 -57.16 -48.28 79.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.707 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.59 -45.54 86.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.984 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.15 -30.72 64.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.356 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -67.71 -60.93 2.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.218 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.44 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 2.6 m-85 -61.29 -27.58 68.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -71.34 -40.61 70.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.231 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.2 -31.64 55.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.589 179.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -75.76 -39.77 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -31.08 60.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.737 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.81 -31.11 45.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.4 -30.09 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.52 -30.91 63.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.56 76.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.55 -35.38 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.15 -41.03 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.76 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -78.97 -41.48 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.53 -41.9 75.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.46 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.777 0.322 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.403 ' CD1' ' HG3' ' B' ' 333' ' ' ARG . 8.1 m-85 61.4 113.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.09 104.7 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.27 141.01 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.3 tp -151.94 104.55 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.415 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 1.2 ttmp? -87.29 106.82 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.45 116.05 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HB3' ' CD2' ' B' ' 327' ' ' TYR . 19.0 ptt85 -78.03 -30.77 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.29 114.24 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -60.11 -37.35 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -74.62 -52.95 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -56.28 -42.57 77.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.705 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.29 -45.53 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.01 -35.4 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 343' ' ' GLU . 32.5 mtm -67.05 -56.25 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.5 m-85 -65.3 -24.97 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -42.24 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.337 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 340' ' ' MET . 1.7 pp20? -78.4 -27.1 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.82 -30.68 51.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -74.44 -43.69 55.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -32.0 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.47 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.679 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.42 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 1.1 mp -65.39 -47.85 74.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -59.17 -31.18 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.38 -37.99 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.29 -31.55 60.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.9 -31.34 31.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.26 -46.41 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.783 0.325 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.416 ' CD2' ' HB3' ' A' ' 333' ' ' ARG . 34.4 m-85 61.45 116.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -123.4 112.69 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.415 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 76.1 m-85 -60.23 129.03 39.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.0 tp -141.04 102.37 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.67 104.24 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -93.15 139.62 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.403 ' HG3' ' CD1' ' A' ' 327' ' ' TYR . 6.7 ttt-85 -96.74 66.62 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.61 133.04 2.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -44.7 50.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.9 -46.8 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -57.18 -42.78 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.58 -48.11 83.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.47 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.33 -34.2 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -66.48 -58.13 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.4 m-85 -59.95 -29.47 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.94 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.137 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.74 -33.26 58.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.328 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.03 -32.24 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.424 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.87 -47.45 59.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.84 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.33 -32.1 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.59 -31.17 66.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.38 -36.63 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.8 mttt -60.77 -31.75 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.85 -31.64 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.8 -36.29 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -31.21 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 -56.13 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.515 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 63.16 123.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -142.09 104.24 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.409 ' CE2' ' HB3' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -70.14 130.29 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.409 ' CD1' ' CE1' ' D' ' 338' ' ' PHE . 11.9 tp -130.88 145.03 51.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -122.95 112.31 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . 0.413 HD11 HG22 ' C' ' 332' ' ' ILE . 27.2 mm -101.03 139.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -98.78 30.95 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -147.56 132.35 4.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -67.83 -39.64 83.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.7 -45.32 53.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -57.56 -44.88 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.74 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CD2' HD23 ' D' ' 330' ' ' LEU . 12.1 t80 -60.88 -48.22 82.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -33.61 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 mtp -66.51 -58.86 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.277 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.8 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -41.17 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.87 -24.18 55.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.26 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.21 -38.72 42.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 346' ' ' GLU . 30.2 p30 -77.84 -25.35 48.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 110.801 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.7 mt-10 -82.5 -33.85 28.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.632 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.49 -34.25 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.681 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.57 -31.83 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.94 -26.92 60.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.92 -40.97 65.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -30.15 71.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.74 -33.19 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.9 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -68.5 -54.31 17.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -68.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.71 137.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -152.79 138.21 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.409 ' HB3' ' CE2' ' C' ' 329' ' ' PHE . 50.7 m-85 -106.95 144.1 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.415 HD23 ' CD2' ' C' ' 338' ' ' PHE . 0.5 OUTLIER -145.98 130.26 17.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -98.33 84.61 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -78.99 138.69 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.9 ttm105 -95.83 42.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.68 117.13 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -66.99 -45.87 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.12 -46.89 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -57.26 -43.31 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.409 ' CE1' ' CD1' ' C' ' 330' ' ' LEU . 12.8 t80 -61.0 -48.45 81.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.3 -34.28 60.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtp -66.6 -58.38 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.279 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.425 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.6 m-85 -59.86 -30.09 68.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -67.48 -41.55 84.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.65 -24.32 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.249 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.06 -35.81 59.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.818 179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -41.32 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.583 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -71.51 -32.17 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.29 -37.26 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.54 -30.91 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.47 -29.36 67.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.15 -45.75 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -66.48 -30.49 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.06 -33.4 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.23 49.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.1 -31.16 25.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.83 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.501 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.91 139.45 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 50.4 m-85 -133.31 115.08 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -85.28 150.33 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.52 130.05 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 93.59 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -86.01 138.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.6 31.11 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -127.47 115.79 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.433 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -61.62 -47.96 83.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.13 -42.84 62.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 -57.91 -48.09 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.4 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 11.2 t80 -59.51 -46.94 87.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.389 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.96 -34.05 62.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.52 -58.49 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.238 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 4.2 m-85 -59.25 -30.09 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -65.46 -39.82 92.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -73.06 -31.87 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.75 -46.06 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.313 179.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -62.88 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.708 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.79 -31.51 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.89 61.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.66 -38.31 62.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.5 -32.5 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -74.72 -37.91 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -30.81 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.16 -31.44 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.27 -38.94 63.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.43 -33.03 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.88 -55.8 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 61.17 112.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.4 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 18.4 m-85 -126.87 123.29 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.96 135.14 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 17.1 tp -135.43 136.72 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 122.71 39.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.96 145.52 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -98.65 32.4 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.82 112.27 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -60.38 -30.83 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.59 -52.92 15.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -55.92 -40.85 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.58 -47.79 82.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.364 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -54.71 -33.83 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.5 -57.84 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.363 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.9 m-85 -61.42 -30.59 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.728 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -39.21 76.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.179 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -78.13 -31.1 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -29.65 59.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.95 -42.52 57.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.55 -32.25 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.85 -31.03 51.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 4.5 mt -75.87 -30.07 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.88 -30.73 65.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -36.43 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -40.67 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.91 -40.36 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.01 43.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.526 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.821 0.344 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.414 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 7.1 m-85 -88.9 148.46 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -144.44 98.13 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -60.21 146.58 43.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.5 tp -145.13 91.66 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 84.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -79.21 124.48 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 35.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.35 120.92 2.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.24 -37.76 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 1.2 tpp85 -59.76 -52.02 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -59.37 -45.02 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.58 -33.78 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.73 -60.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.232 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.43 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.0 m-85 -60.38 -27.55 67.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -36.9 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.097 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.6 -31.59 57.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.047 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.9 -39.68 69.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.365 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.68 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -40.61 82.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.26 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 16.3 mt -69.14 -38.52 78.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.91 -30.7 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -68.16 -52.33 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -64.68 -30.81 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.46 -31.52 65.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.89 63.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.21 -42.74 12.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.61 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -141.78 142.87 33.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -152.91 102.69 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.29 137.73 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 33.6 tp -136.7 98.03 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.44 104.63 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -100.53 136.89 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.7 ttt180 -98.57 31.85 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -145.01 126.56 2.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.52 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.31 -55.81 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -55.52 -46.36 77.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -59.45 -40.08 85.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.95 -41.93 79.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.704 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttm -61.6 -54.71 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.403 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.42 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.2 -36.32 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -39.37 92.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.206 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -78.32 -29.7 47.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.59 -30.94 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.542 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -74.95 -42.57 57.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.9 -30.31 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -33.47 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.8 mt -78.94 -27.01 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.8 -28.78 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.692 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -39.72 51.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -30.66 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.88 -31.17 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.36 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -86.77 -37.21 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.4 35.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 61.35 113.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -128.23 153.0 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.436 ' CE1' ' CE ' ' B' ' 331' ' ' LYS . 10.0 m-85 -108.56 142.18 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 18.4 tp -153.86 136.42 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.5 mtpt -106.53 107.21 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.62 127.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.4 OUTLIER -97.45 37.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.04 126.03 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -34.07 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -73.83 -50.49 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 9.5 mtm105 -57.12 -40.77 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CE2' HD23 ' B' ' 330' ' ' LEU . 10.8 t80 -61.77 -47.78 83.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.432 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -66.91 -58.1 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.253 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.38 -28.7 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -36.3 76.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.938 0.399 . . . . 0.0 110.244 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -80.92 -30.17 35.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.103 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.73 -30.84 56.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -75.82 -42.01 51.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.697 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.28 -30.85 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.35 -29.92 42.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.965 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 15.1 mt -77.71 -30.52 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.96 -30.51 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.33 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -60.72 -38.34 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.67 -32.51 70.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -83.15 -32.1 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.47 -38.73 40.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 7.2 m-85 60.33 96.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 5.5 m-85 -108.98 107.79 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -60.51 153.19 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.419 HD23 ' CE2' ' A' ' 338' ' ' PHE . 21.4 tp -160.66 123.53 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.436 ' CE ' ' CE1' ' A' ' 329' ' ' PHE . 0.1 OUTLIER -88.75 93.34 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.769 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 23.6 mm -74.06 95.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.01 72.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.19 128.4 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.98 -56.65 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 -41.48 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.408 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 3.1 ttm180 -57.9 -46.1 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.741 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -59.41 -48.93 79.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.473 179.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.6 mmm -66.95 -59.04 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.302 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.7 m-85 -59.87 -29.2 68.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -38.08 84.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.69 -30.93 52.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.297 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.05 -33.15 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.512 179.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -72.13 -40.93 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.11 -36.44 69.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.5 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.89 -30.92 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.46 -31.07 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.71 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -60.03 -35.65 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.2 -34.97 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.42 80.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.2 -35.24 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 31.06 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 5.0 m-85 -118.52 122.88 43.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.78 136.58 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' D' ' 338' ' ' PHE . 18.1 tp -129.05 103.97 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -83.93 94.28 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -99.98 127.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -86.18 56.35 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.01 110.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.54 -34.56 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.26 -54.45 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 1.7 mtm105 -55.8 -40.19 72.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.671 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' D' ' 328' ' ' PHE . 11.7 t80 -63.17 -47.66 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.94 -33.61 62.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.661 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -66.41 -58.01 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.421 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.3 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.695 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -67.58 -35.85 79.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.97 -29.99 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.259 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.11 -33.05 56.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.593 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -75.69 -38.47 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -76.11 -31.2 58.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.07 44.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.2 -29.6 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.91 -26.99 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.84 -38.36 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -29.73 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.27 -31.54 64.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.16 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.68 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.56 66.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 60.85 111.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 20.2 m-85 -121.71 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -106.28 147.34 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.408 HD23 ' CE2' ' C' ' 338' ' ' PHE . 1.4 pt? -151.83 138.67 18.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -76.19 110.22 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . 0.479 HD11 HG22 ' D' ' 332' ' ' ILE . 24.7 mm -93.81 104.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -73.86 90.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.4 124.39 1.06 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -64.43 -36.72 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.63 -42.54 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.92 -51.02 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' C' ' 330' ' ' LEU . 7.6 t80 -61.05 -44.6 97.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.71 -32.68 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.378 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -67.0 -60.7 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.171 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.7 m-85 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -34.5 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -31.61 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.264 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 96.1 mt -76.02 -29.92 58.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -76.31 -41.69 47.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -74.27 -30.96 62.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.43 -30.66 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 14.8 mt -77.55 -29.79 52.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.44 -31.81 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.38 -41.16 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.29 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.62 -30.93 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.8 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -82.99 -34.75 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.416 -1.214 . . . . 0.0 112.515 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 61.14 112.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -130.06 98.42 4.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.409 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 57.1 m-85 -60.96 135.02 57.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.407 HD11 ' CE2' ' B' ' 338' ' ' PHE . 35.2 tp -139.1 90.69 2.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -70.65 99.19 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.9 128.11 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -94.18 75.34 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.08 123.1 0.91 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -68.2 -45.79 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.52 -43.43 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.442 ' CD ' ' CZ ' ' A' ' 341' ' ' PHE . 8.8 mmt-85 -58.57 -51.26 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD12 ' B' ' 330' ' ' LEU . 5.6 t80 -58.07 -41.51 83.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -38.66 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.509 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.6 mtm -67.36 -59.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.991 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.442 ' CZ ' ' CD ' ' A' ' 337' ' ' ARG . 7.7 m-85 -61.93 -20.9 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.171 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 338' ' ' PHE . 11.7 ttt85 -75.45 -33.46 60.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.986 0.422 . . . . 0.0 109.998 179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.22 -30.6 48.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.271 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -72.46 -36.16 68.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -71.11 -43.43 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.73 -31.22 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.18 -34.99 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.779 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -64.58 -29.66 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.51 -41.45 84.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.49 -30.06 68.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.6 -46.82 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.25 69.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.63 21.96 16.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.8 -34.38 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.54 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.78 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.0 m-85 -132.19 102.35 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.56 132.16 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.415 HD12 ' CE1' ' A' ' 338' ' ' PHE . 11.0 tp -131.75 100.61 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.409 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 41.7 mttt -66.85 83.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -79.4 103.05 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -79.86 64.93 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.52 112.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -60.37 -40.92 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.03 -50.43 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -56.1 -40.75 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.407 ' CE2' HD11 ' A' ' 330' ' ' LEU . 12.7 t80 -61.19 -48.59 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.434 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.8 -34.69 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.2 -58.48 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.66 -30.0 70.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.1 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.5 -33.3 60.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.277 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.31 -39.1 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.439 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -39.07 90.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.02 -46.6 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.24 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 9.1 tp -70.82 -41.59 71.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.867 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.28 -27.96 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 mt -77.14 -41.04 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -29.8 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.67 -30.05 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.1 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -70.97 -34.59 71.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.02 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 15.5 m-85 61.36 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.424 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 22.3 m-85 -127.14 114.33 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.27 140.43 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.406 HD13 ' CE1' ' D' ' 338' ' ' PHE . 1.2 tt -149.09 126.15 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 87.09 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -71.86 132.94 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 4.9 ttt180 -103.53 76.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.56 141.32 4.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -76.67 -45.94 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.61 -46.17 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.418 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -57.68 -49.7 75.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.66 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.216 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -57.11 -32.3 66.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.505 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 ttm -67.66 -58.75 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.418 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.4 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.695 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.57 -31.94 69.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.42 -34.03 54.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.0 mp -72.8 -37.51 67.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -68.6 -38.92 81.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -70.2 -44.96 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.559 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.11 -28.09 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 7.4 tp -70.67 -37.89 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.744 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.05 -31.3 72.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.49 -40.32 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -32.51 70.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.41 -31.48 65.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.13 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -30.77 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -110.88 30.72 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 6.3 m-85 -82.68 110.14 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -93.73 109.76 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.33 151.79 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.5 tp -161.77 107.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.5 108.69 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -112.35 142.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 9.7 ttt-85 -98.66 35.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.46 112.56 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -59.4 -51.75 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.72 -46.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.451 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.3 tpp180 -57.64 -48.96 78.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.424 ' CD1' ' HB2' ' C' ' 328' ' ' PHE . 8.4 t80 -61.59 -44.44 97.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.132 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.69 -34.19 64.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -65.76 -60.15 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.451 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.8 m-85 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.5 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.078 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.56 -32.13 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.36 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.48 -33.39 64.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.611 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 18.3 m-80 -72.68 -42.51 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.749 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 -32.29 66.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.76 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.83 -32.71 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.51 -31.05 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -72.23 -29.11 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -47.86 79.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.54 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.49 20.06 19.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.06 -37.96 9.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.821 0.343 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.484 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -89.8 152.91 21.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -146.31 108.52 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.401 ' CZ ' ' HE3' ' B' ' 331' ' ' LYS . 85.6 m-85 -62.8 152.7 35.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.415 HD13 ' CE1' ' B' ' 338' ' ' PHE . 6.7 tt -161.62 118.49 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.408 ' HD3' ' CZ ' ' B' ' 329' ' ' PHE . 0.2 OUTLIER -85.48 123.85 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.63 107.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 5.3 ttt180 -82.01 59.63 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.73 132.39 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -73.85 -32.58 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.17 -52.06 11.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.31 -40.85 75.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' B' ' 330' ' ' LEU . 12.5 t80 -62.55 -47.97 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.381 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -33.21 62.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -66.74 -57.89 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.359 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.7 m-85 -62.4 -31.02 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -70.65 -35.63 72.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.227 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -80.67 -31.76 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.18 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.6 mt -77.27 -31.05 54.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.446 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.6 -40.4 49.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -73.83 -32.82 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.638 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.76 -32.54 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.6 mt -73.35 -33.3 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.98 -30.4 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.774 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -37.8 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -58.99 -38.28 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -44.21 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.19 71.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -70.91 -31.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.97 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.495 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 5.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 12.7 m-85 -88.07 152.6 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.417 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.8 m-85 -147.69 102.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.408 ' CZ ' ' HD3' ' A' ' 331' ' ' LYS . 90.0 m-85 -60.35 133.47 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 338' ' ' PHE . 18.0 tp -134.44 112.24 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.401 ' HE3' ' CZ ' ' A' ' 329' ' ' PHE . 5.1 mtpt -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 26.9 mm -78.91 127.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -98.6 32.5 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -148.37 124.76 1.93 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -60.63 -46.89 88.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -43.22 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 26.8 mtm-85 -57.92 -44.96 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' A' ' 330' ' ' LEU . 12.6 t80 -59.85 -48.44 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.87 -32.88 61.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.38 -58.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.0 m-85 -61.82 -29.43 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -69.44 -35.57 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.224 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -31.94 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.256 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.55 -31.57 57.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -74.05 -40.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -72.29 -35.84 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.643 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -30.33 64.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -72.21 -38.75 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.81 -29.91 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.27 -48.64 55.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -64.74 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.24 -31.42 69.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.94 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -71.37 -46.24 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.75 33.5 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.532 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.815 0.341 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 60.7 111.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.62 123.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.422 ' CE2' ' HB2' ' D' ' 331' ' ' LYS . 0.9 OUTLIER -79.66 106.74 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 20.8 tp -108.29 95.86 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -79.93 111.29 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 28.2 mm -103.01 132.51 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 32.88 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.12 126.17 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -63.79 -46.24 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.3 -47.61 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.407 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.741 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.52 -45.43 93.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -55.44 -34.56 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtp -66.53 -58.52 5.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.9 m-85 -62.01 -28.7 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -69.63 -34.43 74.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.977 0.418 . . . . 0.0 110.242 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.23 -32.05 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.07 -30.81 61.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.566 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -75.21 -41.62 57.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.741 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 -31.18 64.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -33.06 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -74.18 -31.16 62.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.777 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.15 -30.06 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.58 -43.33 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -30.63 71.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.73 -31.63 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.28 71.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -78.99 -42.3 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.36 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -99.61 151.79 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.57 91.32 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.11 134.61 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 7.3 tp -145.81 108.75 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.422 ' HB2' ' CE2' ' C' ' 329' ' ' PHE . 7.5 ttmm -100.67 129.64 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -130.17 129.93 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.07 -34.03 75.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.63 114.63 6.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.575 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.88 -35.91 77.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.482 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.6 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -58.5 -45.88 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.364 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.34 -32.3 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.9 ttm -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.95 179.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.482 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 7.7 m-85 -57.69 -27.54 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -66.17 -38.42 88.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -32.27 61.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.9 -42.56 63.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.322 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.47 -38.32 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.37 -32.13 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -29.72 47.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.59 -31.02 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.22 -31.26 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.17 -32.01 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.27 -32.27 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.52 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -72.04 -32.52 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.22 -32.09 43.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.415 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 6.2 m-85 -107.65 145.42 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.423 ' N ' ' CD2' ' A' ' 328' ' ' PHE . 3.6 m-85 -134.2 152.38 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -104.78 135.02 46.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' B' ' 338' ' ' PHE . 21.0 tp -135.28 98.47 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.421 ' HB3' ' CE2' ' B' ' 329' ' ' PHE . 3.5 pttm -78.54 108.68 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.6 mt -114.98 140.66 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 158.63 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.73 124.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.57 72.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.07 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.1 tpp180 -57.2 -47.15 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -61.67 -44.34 97.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.252 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.68 -33.87 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 tpp -66.6 -61.14 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.074 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 6.4 m-85 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.37 -39.39 85.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.229 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 7.2 mt -67.48 -29.86 69.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.382 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -69.94 -51.79 29.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.619 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.92 -32.23 73.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.44 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -68.22 -32.09 72.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.633 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -64.26 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.8 -49.35 73.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -59.17 -31.52 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.94 -39.42 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.17 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.46 -38.94 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 37.42 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 60.5 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -105.84 126.6 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.421 ' CE2' ' HB3' ' A' ' 331' ' ' LYS . 8.5 m-85 -81.95 119.93 24.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 1.5 tt -105.18 93.25 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -66.43 84.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -81.13 135.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.415 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 2.0 ttt180 -102.08 34.62 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.76 129.39 3.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -71.0 -39.89 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.81 -53.7 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -55.42 -40.85 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.437 ' CE1' ' CD1' ' A' ' 330' ' ' LEU . 11.6 t80 -61.66 -47.14 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.396 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.35 -34.83 61.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.16 -58.75 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.288 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.26 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.712 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.405 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -69.44 -33.81 73.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -80.17 -31.65 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.172 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -33.9 61.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.468 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -74.32 -41.27 61.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.05 -31.5 66.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.703 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.49 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 12.3 mt -71.84 -40.27 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.93 -30.92 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.27 -35.47 71.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.34 -35.22 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.86 -34.33 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.23 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -85.97 -33.97 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.58 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.417 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 8.2 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -103.66 126.2 50.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.417 ' CE2' ' HB3' ' C' ' 326' ' ' GLU . 35.6 m-85 -114.75 138.0 51.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 12.5 m-85 -104.54 125.32 50.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' D' ' 338' ' ' PHE . 17.4 tp -143.95 128.46 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.23 95.84 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 31.0 mm -71.44 135.47 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.4 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.8 OUTLIER -105.95 74.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.1 139.3 2.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -41.59 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.2 -48.02 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 4.7 ttm180 -56.85 -45.45 82.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.98 -46.99 88.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -33.42 62.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.59 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.75 -58.96 4.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.03 -29.54 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -37.51 78.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.989 0.423 . . . . 0.0 110.161 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.03 -31.61 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.19 -30.32 60.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.465 179.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.38 -43.21 57.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -30.59 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.38 -30.72 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 2.4 mt -76.93 -31.07 56.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.96 -29.59 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -35.87 77.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -66.15 -36.13 82.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -64.27 -34.22 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.35 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.21 31.2 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.13 -31.83 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.493 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.4 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 64.8 m-85 60.38 110.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -137.63 120.55 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -68.48 141.84 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -154.15 113.25 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.403 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 4.3 mtpm? -87.33 83.65 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -71.26 107.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -83.28 72.64 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.88 124.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -64.29 -46.05 85.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -43.44 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.34 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' C' ' 330' ' ' LEU . 10.9 t80 -59.2 -46.79 87.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.516 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.72 -34.22 64.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.2 ttp -67.22 -58.09 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.267 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -63.74 -29.36 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -72.41 -36.24 68.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.092 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.41 -30.36 42.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.88 -39.03 52.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.45 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.75 -34.83 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -75.27 -31.43 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -34.81 60.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.8 mt -74.35 -32.59 62.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.19 -29.42 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -35.5 77.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -62.87 -40.21 96.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.65 70.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -77.47 -32.31 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.0 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.795 0.331 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.416 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 33.7 m-85 -139.83 90.41 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -88.99 102.71 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -106.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -129.26 137.24 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.412 ' HE3' ' CG ' ' B' ' 327' ' ' TYR . 6.5 ttpt -78.09 124.29 27.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mp -118.54 134.16 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.417 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 23.1 ptt85 -93.6 71.6 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.06 125.08 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.35 -34.8 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.86 -50.74 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -55.86 -44.0 77.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.02 -47.24 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.447 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.94 -33.51 62.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.69 -59.27 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.257 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -61.12 -29.82 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.818 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -35.72 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.168 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.59 -30.14 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -76.46 -34.95 58.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.46 -38.48 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.91 -33.24 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.6 54.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.44 -30.85 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.99 -30.84 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.39 -36.03 81.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.53 -41.89 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.42 -31.72 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.38 -39.6 85.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.11 -41.68 25.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.523 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.427 ' CB ' ' CZ ' ' B' ' 328' ' ' PHE . 2.8 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.417 ' CZ ' ' HB3' ' A' ' 333' ' ' ARG . 8.9 m-85 -96.43 148.12 23.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' CB ' ' B' ' 326' ' ' GLU . 17.7 m-85 -151.6 117.17 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.47 113.66 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 6.3 tp -106.51 103.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.64 128.67 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 2.3 mt -126.29 118.74 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 1.2 ttt180 -92.48 82.93 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.77 132.44 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -61.1 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.323 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -33.62 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.478 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -62.48 -56.46 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.448 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -61.33 -42.62 98.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.07 -31.67 65.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.425 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.95 -61.64 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 8.5 m-85 -59.5 -27.67 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.97 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -33.83 74.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 110.034 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.56 -32.09 42.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.416 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.6 mp -76.62 -31.58 57.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -75.11 -38.2 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.89 -35.11 72.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.77 -38.43 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.8 -29.95 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -74.12 -46.98 39.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 pp -72.33 -27.32 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.89 -31.17 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -31.15 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.59 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -65.23 -31.85 73.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.35 -49.99 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 60.3 109.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -132.11 108.48 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -61.53 152.75 29.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' D' ' 338' ' ' PHE . 6.2 tp -139.68 84.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.54 83.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mt -73.86 152.06 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -117.82 82.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 157.27 144.64 3.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -74.38 -41.21 61.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.13 -40.72 62.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -51.11 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -59.03 -45.72 90.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.483 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -57.22 -32.88 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.1 ttm -68.59 -58.96 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.27 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -64.53 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -76.45 -36.48 57.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -75.57 -33.36 60.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.95 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.08 -44.33 54.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.209 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -65.49 -32.15 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -46.5 52.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.685 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.61 -24.72 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.5 mp -74.58 -40.47 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -68.15 -26.52 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -72.4 -41.07 66.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -68.59 -28.33 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.49 -31.42 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.21 52.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.18 -30.54 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.86 34.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.415 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.3 m-85 -86.77 152.89 22.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.415 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 40.0 m-85 -146.84 126.37 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -83.57 116.36 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -114.97 100.15 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -71.79 107.35 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.1 mt -109.23 121.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -95.43 75.76 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.01 119.82 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -60.41 -37.15 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -46.24 37.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.43 ' HG2' ' CE1' ' D' ' 341' ' ' PHE . 8.3 ttm180 -58.0 -49.71 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' C' ' 330' ' ' LEU . 6.8 t80 -59.69 -42.99 94.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.336 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.72 -34.5 65.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.74 -61.24 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.112 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.43 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 5.6 m-85 -61.41 -26.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.98 -33.89 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.078 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -81.12 -31.42 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.59 -30.61 59.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -75.66 -43.22 48.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -72.54 -31.31 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.51 -34.41 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.6 -31.9 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.81 -31.71 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.741 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -67.79 -34.56 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -39.25 93.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.72 -34.08 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -73.96 -31.44 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -124.27 77.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 68.3 m-85 60.68 111.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -121.21 109.48 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.413 ' CE2' ' HB3' ' B' ' 331' ' ' LYS . 95.2 m-85 -82.41 101.42 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.412 HD12 ' CE2' ' B' ' 338' ' ' PHE . 4.6 tp -96.18 108.13 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.413 ' HD2' ' CZ ' ' B' ' 329' ' ' PHE . 16.4 tttt -70.82 83.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.5 mt -79.24 99.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.413 ' HG3' ' CD1' ' B' ' 327' ' ' TYR . 2.2 mpp_? -85.26 57.08 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -156.98 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -58.38 -46.83 85.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.55 -46.95 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.456 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.0 ttp180 -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.38 -42.21 95.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.269 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.3 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.95 -61.36 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.105 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.456 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 5.1 m-85 -62.11 -25.45 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -37.26 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.983 0.42 . . . . 0.0 109.996 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.9 -31.65 59.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.95 -43.54 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 179.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.99 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.07 -32.7 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.39 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.96 -35.49 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.65 -29.24 64.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.8 -41.36 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.45 -31.24 62.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.71 -36.31 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -31.27 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.61 -40.75 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.532 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.802 0.334 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.413 ' CD1' ' HG3' ' A' ' 333' ' ' ARG . 70.1 m-85 60.26 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.2 m-85 -121.01 95.77 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 331' ' ' LYS . 40.8 m-85 -65.34 150.93 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.6 tp -148.05 108.49 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 329' ' ' PHE . 4.2 ptmm? -98.38 128.64 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -136.57 136.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.414 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.4 33.26 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -132.5 113.19 1.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.68 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -73.2 -52.26 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.07 -47.55 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.662 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CE2' HD12 ' A' ' 330' ' ' LEU . 8.5 t80 -61.92 -45.01 95.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.203 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.8 -33.75 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -59.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.239 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.21 -29.74 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -37.16 84.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.939 0.399 . . . . 0.0 110.033 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -76.28 -31.66 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.5 mp -75.03 -41.01 60.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.412 179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.26 -32.96 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.469 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -71.91 -47.3 53.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.98 -27.38 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 6.2 mp -72.07 -38.53 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.779 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -29.48 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.46 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.54 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.06 58.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -80.19 -31.53 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.5 -33.15 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.545 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 60.53 110.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -123.39 108.0 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -76.8 125.87 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.421 HD11 ' CD1' ' D' ' 338' ' ' PHE . 4.0 tt -113.15 139.6 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.72 114.73 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -95.16 113.3 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 51.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.52 144.86 7.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -69.8 -58.23 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.38 -39.82 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.507 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -59.63 -52.38 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.631 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.414 ' CE1' HD12 ' D' ' 330' ' ' LEU . 7.6 t80 -61.72 -44.71 96.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.054 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.83 -31.62 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.365 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -61.22 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.507 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -59.27 -28.06 66.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -37.61 82.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.135 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -78.06 -30.13 49.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.6 -36.05 60.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -71.8 -38.29 70.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -73.26 -30.29 63.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.07 -39.88 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.01 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.6 pp -76.28 -25.87 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.677 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -78.29 -29.72 48.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.708 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -71.31 -31.61 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -72.71 -31.46 65.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.44 -36.17 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.93 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -81.33 -31.14 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.16 38.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.07 151.66 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -139.17 155.01 48.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.03 124.68 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.414 HD12 ' CE1' ' C' ' 338' ' ' PHE . 12.7 tp -131.08 153.1 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.81 110.26 22.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 28.5 mm -109.93 95.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 104.82 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.97 133.08 2.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -74.63 -38.66 62.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.25 -45.18 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.1 OUTLIER -58.59 -51.08 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.421 ' CD1' HD11 ' C' ' 330' ' ' LEU . 5.9 t80 -60.78 -42.41 97.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.73 -32.3 65.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.21 -62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 9.5 m-85 -59.25 -27.33 65.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.934 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -68.85 -35.87 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.003 0.43 . . . . 0.0 109.969 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -31.09 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.185 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 98.0 mt -73.24 -31.42 64.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -73.74 -45.65 50.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.87 -30.15 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.11 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -36.51 68.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -67.22 -31.41 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.77 -37.69 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -64.21 -36.58 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -34.68 77.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.28 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -92.17 -31.72 15.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 -56.89 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.791 0.329 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 61.59 114.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.424 ' N ' ' CD2' ' A' ' 328' ' ' PHE . 4.7 m-85 -132.44 110.83 10.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -66.07 141.09 58.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' B' ' 338' ' ' PHE . 20.7 tp -139.51 98.64 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.427 ' CD ' ' CD2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -84.47 100.89 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 2.9 mp -99.76 153.32 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.407 ' HB2' ' CE2' ' B' ' 327' ' ' TYR . 6.7 ttt85 -113.18 123.22 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.91 144.14 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -29.94 60.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mp0 -76.75 -46.54 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.98 -52.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' B' ' 330' ' ' LEU . 4.5 t80 -62.38 -40.94 98.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.017 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.48 -32.9 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -61.67 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.055 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 337' ' ' ARG . 6.9 m-85 -60.9 -26.99 67.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -69.86 -34.53 73.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.5 -32.74 42.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.194 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 6.6 mt -73.98 -30.76 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.495 179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -73.37 -44.6 58.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.579 179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.58 -34.06 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.32 -32.04 66.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -38.9 76.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -62.54 -31.37 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 17.7 mt -64.9 -45.16 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -59.93 -32.35 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -35.8 76.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.09 -33.51 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.31 -37.68 60.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.85 -49.39 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.483 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.427 ' CD2' ' CD ' ' A' ' 331' ' ' LYS . 6.5 m-85 63.27 127.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -135.82 127.43 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' A' ' 331' ' ' LYS . 1.1 m-85 -81.63 145.3 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.416 HD12 ' CE2' ' A' ' 338' ' ' PHE . 16.4 tp -139.94 102.13 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -82.55 98.63 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -101.26 131.04 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -88.79 74.25 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.36 128.35 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -33.54 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.81 -50.81 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -56.09 -44.06 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' B' ' 342' ' ' ARG . 39.4 t80 -62.03 -47.86 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.283 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.26 -33.24 63.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.619 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttm -66.03 -57.91 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.272 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.36 -33.75 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -67.67 -39.37 84.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.059 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.2 -29.35 48.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.171 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.39 -32.35 60.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.594 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -73.77 -42.26 61.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.667 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -31.3 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.2 -36.76 61.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 12.2 mt -74.74 -24.85 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -79.35 -26.22 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.636 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -43.55 40.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.02 66.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.776 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.27 -33.45 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.27 -33.2 67.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.57 -59.32 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.508 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 60.89 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.434 ' N ' ' CD2' ' C' ' 328' ' ' PHE . 5.2 m-85 -119.91 147.17 45.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 145.27 32.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.408 HD11 ' CE1' ' D' ' 338' ' ' PHE . 9.5 tp -149.18 106.47 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.27 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.92 123.1 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 144.9 131.4 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -66.15 -42.91 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.63 -51.43 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.473 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -55.91 -44.9 78.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' D' ' 330' ' ' LEU . 8.9 t80 -64.17 -48.38 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.972 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -30.9 59.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.58 -60.39 2.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 1.7 m-30 -59.85 -30.29 68.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -43.26 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.36 -32.07 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.288 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.51 -31.63 67.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.461 179.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.84 -47.44 62.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -69.16 -32.63 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.37 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -42.39 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.09 69.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -43.34 80.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 27.0 mttt -60.23 -40.92 91.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.99 -31.49 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.16 73.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -82.51 -37.55 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -54.96 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.71 111.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.94 135.25 47.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.96 138.95 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' C' ' 338' ' ' PHE . 21.3 tp -141.36 109.09 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -98.91 111.28 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.72 124.17 67.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -84.02 71.38 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.92 129.88 1.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -31.82 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -56.74 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.4 tpp180 -57.0 -37.59 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD11 ' C' ' 330' ' ' LEU . 8.5 t80 -66.61 -45.53 78.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.215 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -32.85 62.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 ttm -67.15 -61.68 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.461 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.98 -27.95 68.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.95 -33.67 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.031 179.179 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -34.81 59.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' C' ' 341' ' ' PHE . 76.1 mt -71.22 -36.8 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.422 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.75 -42.25 86.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.73 -45.19 75.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.582 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -29.1 68.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 13.1 tp -68.39 -38.42 81.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.768 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.73 -31.18 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.03 -42.59 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.49 -32.05 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -68.69 -31.39 70.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.94 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.64 -37.42 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -35.18 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 5.6 mm-40 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 6.4 m-85 -171.17 105.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.66 87.8 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.43 152.87 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.405 HD12 ' CZ ' ' B' ' 338' ' ' PHE . 10.5 tp -156.25 119.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 118.77 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . 0.43 HD11 HG22 ' A' ' 332' ' ' ILE . 28.4 mm -102.38 123.3 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.421 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -95.59 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -35.55 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.42 -51.39 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.26 -42.14 76.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -62.4 -48.59 79.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.69 -32.93 60.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.699 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.73 -57.08 7.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.07 -31.69 72.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.631 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -68.43 -37.71 80.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.201 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.36 -31.26 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.224 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.67 -31.2 61.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.76 -43.32 59.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -71.92 -33.98 68.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.4 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.4 -32.15 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.707 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -67.96 -30.93 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.77 -44.85 84.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -59.68 -30.68 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.68 -39.18 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.94 72.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -81.23 -39.49 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.12 73.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.421 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 19.4 m-85 -95.57 135.02 37.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 3.4 m-85 -112.15 99.34 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -59.5 138.22 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -142.08 132.17 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -96.49 121.78 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.69 105.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.414 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 5.8 ttp85 -92.37 48.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.85 117.03 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.7 -40.02 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -52.8 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.443 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 1.0 OUTLIER -56.44 -44.6 80.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.808 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.405 ' CZ ' HD12 ' A' ' 330' ' ' LEU . 8.2 t80 -62.2 -44.59 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.272 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -55.1 -34.17 63.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.0 ttp -66.66 -60.95 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.104 179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.443 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.8 m-85 -61.54 -27.82 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.96 -33.63 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.121 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.65 -31.77 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.265 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 2.4 mp -75.89 -31.86 59.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -74.37 -41.38 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -70.47 -33.97 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.98 -34.07 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -69.1 -40.06 78.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.32 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.37 -42.46 92.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -59.29 -33.53 71.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -36.48 79.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.24 63.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -75.75 -32.46 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.67 -34.89 22.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.508 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -113.94 153.95 28.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -147.24 109.91 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' D' ' 331' ' ' LYS . 15.5 m-85 -70.67 153.3 42.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -156.24 100.71 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -83.07 120.59 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.3 mt -117.95 137.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.424 ' CG ' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -98.68 31.3 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.28 118.67 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -61.2 -41.77 97.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.3 -44.39 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 3.0 ttm180 -57.82 -47.66 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.715 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -60.14 -46.34 89.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.74 -33.77 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 mtp -66.66 -57.65 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.382 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.3 m-85 -62.83 -30.45 71.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -70.75 -36.2 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.95 -34.28 44.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.59 -29.92 63.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -72.22 -47.64 48.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.637 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.809 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -70.13 -39.24 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.47 -38.64 90.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.74 -30.61 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.75 -37.53 79.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.35 -35.77 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.08 -33.18 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.2 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -76.59 -44.77 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.63 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CZ ' ' CG ' ' C' ' 333' ' ' ARG . 13.2 m-85 -140.09 152.54 46.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -146.56 88.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.35 130.47 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.8 tp -131.02 129.66 42.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' C' ' 329' ' ' PHE . 21.2 mtmt -98.03 101.79 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -88.79 122.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -94.51 44.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.25 131.0 2.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -71.1 -34.07 70.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.96 -53.63 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.4 -38.99 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.625 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -63.55 -48.35 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.56 -33.41 60.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttm -66.36 -57.96 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.426 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.32 -31.67 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.194 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -80.65 -30.82 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.214 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.86 -30.19 56.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.03 -41.25 43.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.45 -30.58 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.66 -30.76 46.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.8 -31.76 57.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.02 -29.28 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.23 -35.62 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.8 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.42 -34.57 74.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.23 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -80.39 -38.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.77 87.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.772 0.32 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -164.99 153.07 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -146.32 103.64 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 130.83 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 5.2 tt -137.22 153.05 50.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . 0.419 ' HB2' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -129.03 115.66 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -98.45 153.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -114.91 41.17 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.97 138.46 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -32.61 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -45.85 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.459 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.09 -49.98 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.815 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.406 ' CE1' HD12 ' B' ' 330' ' ' LEU . 7.4 t80 -61.1 -43.72 98.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.214 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.59 -32.68 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.377 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.4 ttm -67.42 -61.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.465 ' CD2' ' CD2' ' B' ' 341' ' ' PHE . 5.3 m-85 -60.41 -26.61 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.759 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -69.96 -35.04 74.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -80.17 -31.87 38.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.306 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.403 ' CD2' ' CD2' ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.17 -30.21 54.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.595 179.596 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.42 -38.72 55.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.3 -33.79 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.779 179.812 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.55 -31.53 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 9.3 mt -75.45 -30.79 60.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.834 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -71.48 -31.06 66.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.14 -38.23 85.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -60.19 -38.4 83.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.98 -31.76 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.4 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 54.9 m-85 -122.81 152.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -144.12 97.65 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 331' ' ' LYS . 3.6 m-85 -69.2 153.1 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.406 HD12 ' CE1' ' A' ' 338' ' ' PHE . 10.4 tp -164.95 118.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -89.24 111.03 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . 0.446 HD13 HG22 ' B' ' 332' ' ' ILE . 25.6 mm -92.67 125.08 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.67 31.32 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.47 121.62 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.17 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -39.88 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.99 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -59.59 -47.35 85.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.325 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.59 -32.04 62.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.67 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.297 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 3.2 m-85 -61.52 -29.27 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -36.28 77.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.249 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.37 -32.28 43.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.263 179.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 7.2 mt -76.31 -29.3 57.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.74 -40.77 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -32.64 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.824 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.77 -31.13 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -70.9 -47.0 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -67.66 -31.49 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -31.57 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.64 -30.91 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -73.92 -33.47 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.89 84.73 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.976 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.76 147.96 52.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -141.93 88.08 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.413 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 26.8 m-85 -59.46 153.02 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.414 HD11 ' CE1' ' D' ' 338' ' ' PHE . 7.8 tt -151.99 119.85 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.412 ' HE3' ' CD2' ' D' ' 327' ' ' TYR . 15.8 tttp -83.64 137.61 33.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.24 127.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.8 ptp85 -98.53 30.63 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.61 123.28 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -48.83 23.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.412 ' HB3' ' CE1' ' C' ' 341' ' ' PHE . 15.3 mtm180 -56.17 -47.34 78.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.757 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.423 ' CE1' ' HD3' ' C' ' 342' ' ' ARG . 12.1 t80 -59.62 -45.8 90.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.413 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . 0.417 ' HA ' ' HG2' ' C' ' 342' ' ' ARG . 3.6 mt-10 -56.44 -29.78 62.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -76.16 -49.46 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.424 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 1.9 m-85 -67.18 -30.67 70.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . 0.423 ' HD3' ' CE1' ' C' ' 338' ' ' PHE . 17.1 ptt180 -73.97 -34.35 64.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -36.63 46.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.01 -29.72 66.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.42 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -71.82 -49.41 38.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.647 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.0 -30.28 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.6 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.84 -36.6 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.779 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.9 -31.3 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.8 mt -67.98 -44.65 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 14.8 mttm -60.26 -31.36 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.26 -32.11 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -31.7 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -118.24 31.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -175.21 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.412 ' CD2' ' HE3' ' C' ' 331' ' ' LYS . 47.2 m-85 -154.85 152.05 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -143.33 98.42 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.47 152.94 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 31.8 tp -138.99 149.72 45.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.413 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 19.6 mttt -118.17 83.88 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.1 mt -86.76 113.6 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.83 39.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.26 123.69 2.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.06 -48.54 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.15 -44.98 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -57.61 -43.54 84.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.414 ' CE1' HD11 ' C' ' 330' ' ' LEU . 13.9 t80 -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.31 -34.12 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.0 tpp -66.72 -58.4 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.312 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.424 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -62.36 -29.78 70.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -71.43 -36.01 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 110.149 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.06 -30.88 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.241 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.403 ' CD2' ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.39 -30.1 57.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.565 179.601 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -76.51 -41.03 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.754 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -74.2 -30.25 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.741 179.852 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.96 43.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 4.7 mt -77.43 -27.38 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.815 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.5 56.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.78 -37.96 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -71.75 -31.1 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.3 -31.49 65.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.35 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.29 -32.12 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.71 -56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.446 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.832 0.348 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.27 141.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -155.46 113.52 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.75 137.17 47.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.0 tp -139.08 123.08 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -99.55 84.81 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -85.24 109.76 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -82.36 72.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.48 134.31 2.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.95 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.05 -47.89 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -56.78 -44.64 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -60.79 -47.43 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.389 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.98 -33.35 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtp -67.01 -58.69 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.487 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.4 ' CG ' ' HB3' ' B' ' 341' ' ' PHE . 3.0 m-85 -61.06 -28.9 69.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -36.25 75.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.266 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.09 -32.23 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.272 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.535 179.493 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -74.14 -42.65 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 179.808 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.13 -32.0 68.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.15 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.59 -38.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.776 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.01 -32.38 72.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -37.78 74.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -64.67 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.13 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.12 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -82.9 -34.23 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.71 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.522 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.27 89.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -106.78 102.32 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -71.97 151.87 42.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.4 128.4 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -105.15 103.91 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.9 mm -86.14 140.99 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.52 33.58 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.09 118.62 1.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.421 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -61.36 -38.22 86.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.03 -49.91 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.54 -43.22 79.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.677 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.72 -48.56 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.291 179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.11 -33.64 58.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.68 -58.2 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.327 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.4 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 2.9 m-85 -59.53 -29.74 68.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.621 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -44.08 78.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.124 179.359 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.97 -24.35 52.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.258 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 1.2 tp -78.54 -32.11 47.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.74 57.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -73.43 -33.45 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -32.4 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -73.25 -32.46 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 179.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.15 -31.09 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -67.8 -46.51 71.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -60.86 -34.47 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.44 -31.61 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.4 44.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -88.22 -31.46 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.95 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.62 99.92 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.8 150.82 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.2 133.21 54.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 5.3 tt -146.21 132.95 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -106.78 119.75 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.78 144.33 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -107.05 37.43 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.75 134.49 6.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -70.47 -47.32 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.57 -44.81 56.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.446 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 26.3 ttp180 -57.95 -50.0 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -62.71 -46.44 88.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.989 179.338 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.28 -30.88 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.451 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.39 -59.58 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.455 ' CD2' ' N ' ' C' ' 341' ' ' PHE . 1.5 m-85 -61.97 -28.96 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.71 179.634 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -71.21 -37.87 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.54 -32.75 54.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.398 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 60.8 mt -75.04 -29.35 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.592 179.585 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -74.48 -42.1 59.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.27 -31.94 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.54 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.9 mt -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -30.16 68.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -37.48 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -31.41 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -33.41 71.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.09 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.96 -32.38 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.29 -69.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.498 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . 0.407 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.5 mp0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.91 152.6 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 33.7 m-85 -144.73 127.04 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.42 121.89 37.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 12.8 tp -118.5 151.53 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -130.66 83.91 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -78.01 131.54 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -99.13 31.6 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.68 132.01 5.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -76.21 -40.56 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.65 -55.6 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -55.55 -46.7 77.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.871 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -59.37 -40.1 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.655 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -40.87 77.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.8 mtm -63.13 -55.15 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.379 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -59.22 -32.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.31 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.261 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -31.3 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.18 -32.89 63.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 179.542 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -71.06 -43.2 68.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.71 -31.96 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.678 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.992 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mt -77.73 -30.19 51.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.03 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.48 -36.9 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -28.31 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.39 -30.41 53.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.78 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -69.96 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.545 179.972 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 60.67 111.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.1 m-85 -117.47 95.71 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -60.05 151.52 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -166.18 129.45 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -97.68 152.98 18.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -142.76 132.9 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -98.62 33.02 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.84 124.86 3.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.38 -47.27 14.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.454 ' HG2' ' CE1' ' A' ' 341' ' ' PHE . 30.5 ttm180 -58.05 -50.56 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.3 -43.99 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.9 -31.29 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.452 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -59.68 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.322 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.454 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.6 m-85 -63.78 -26.97 68.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.665 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -37.71 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -78.49 -33.25 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . 0.403 ' CD1' ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -75.62 -30.64 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.441 179.53 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.3 -31.93 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.662 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.04 -36.44 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -68.44 -39.99 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.54 -30.67 70.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.84 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -65.93 -31.49 72.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -32.67 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.45 61.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -34.85 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 -36.24 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 62.51 147.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -154.87 108.4 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -82.65 151.4 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -156.19 151.77 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -120.47 108.97 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.49 101.03 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.47 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.67 127.29 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 30.7 ttt85 -71.01 -36.1 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.26 -46.71 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 3.8 ttm180 -57.23 -42.6 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 179.908 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.412 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.9 t80 -60.69 -48.27 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.91 -34.39 59.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -58.76 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.282 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.423 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 5.1 m-85 -59.08 -30.1 67.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.402 ' HD3' ' CE2' ' B' ' 338' ' ' PHE . 5.1 tpt85 -66.56 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.19 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.42 -30.04 47.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.026 179.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.35 -39.34 62.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.518 179.529 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.29 -38.32 78.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.32 -38.16 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.81 64.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 12.1 mt -73.82 -32.48 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -68.6 -31.79 71.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.3 -34.24 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -65.26 -35.87 82.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -35.27 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.8 -31.2 66.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.64 -41.44 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.23 -61.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.828 0.346 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -96.11 151.61 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.61 105.46 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' D' ' 331' ' ' LYS . 29.6 m-85 -69.95 122.48 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 9.0 tp -122.68 108.17 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 84.13 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -74.0 135.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.54 33.68 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -135.34 125.74 3.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -65.19 -47.26 77.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.16 -43.78 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -57.76 -46.82 83.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 179.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.4 t80 -59.96 -47.71 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.423 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.22 -32.88 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -66.95 -58.09 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.374 179.503 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.97 -30.45 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -35.65 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.235 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -80.39 -31.97 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.191 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.66 -31.82 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.39 179.506 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -74.27 -40.78 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.55 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -72.37 -36.62 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.571 179.742 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.16 65.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.23 -38.03 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.62 179.842 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -30.55 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.62 -38.33 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -33.14 71.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.88 -42.73 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.22 66.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.1 -31.49 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.63 32.82 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 60.59 111.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 21.5 m-85 -127.25 114.67 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -72.76 142.17 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.0 tp -144.32 102.2 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 329' ' ' PHE . 24.9 tttt -78.1 83.95 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.4 mt -79.91 120.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -96.38 74.67 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.5 134.27 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -50.59 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 -40.88 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -58.38 -49.55 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 10.9 t80 -59.7 -46.88 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.373 179.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -55.55 -32.55 63.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.3 ttp -67.19 -59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.247 179.48 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.452 ' CD1' ' CD2' ' C' ' 341' ' ' PHE . 3.7 m-85 -60.61 -29.14 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -34.52 75.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 0.0 110.253 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -80.68 -30.86 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.301 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 344' ' ' LEU . 2.9 mp -77.73 -31.96 52.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.597 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -76.59 -38.14 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 179.798 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.99 -31.24 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.58 -32.15 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.993 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.9 mt -75.74 -31.88 59.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -71.71 -30.06 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -36.55 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -68.53 -31.53 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.52 -31.67 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.93 -31.37 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.1 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.505 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CE1' ' HG2' ' B' ' 333' ' ' ARG . 19.3 m-85 -130.5 144.88 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.91 113.93 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.414 ' CE2' ' HG3' ' B' ' 331' ' ' LYS . 63.7 m-85 -74.42 144.4 44.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.5 tp -136.23 119.54 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.99 102.26 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.0 mm -89.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 36.73 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -151.82 144.98 12.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -65.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.82 -36.46 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.485 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -60.51 -53.67 54.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 179.703 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.61 -45.67 91.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.867 179.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -56.8 -30.86 64.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -67.38 -61.2 2.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.421 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.485 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 2.7 m-85 -60.73 -27.78 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -37.78 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -78.23 -31.54 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.34 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 2.3 mp -76.64 -32.84 58.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.482 179.581 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.23 -39.68 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.676 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.98 -31.74 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.96 -31.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.02 -37.69 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.773 179.848 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.69 -31.21 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.92 -35.47 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -60.68 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.88 -33.49 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.71 -31.43 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -76.39 -31.66 58.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.13 33.67 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 61.64 153.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.27 94.74 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.35 152.57 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.6 tp -156.37 115.52 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.414 ' HG3' ' CE2' ' A' ' 329' ' ' PHE . 8.7 ttmt -93.67 102.98 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.59 140.4 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG2' ' CE1' ' A' ' 327' ' ' TYR . 45.5 mtp180 -105.94 72.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -173.62 134.56 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -75.93 -38.56 57.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.06 -47.29 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.415 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.01 -48.56 78.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.707 179.85 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.01 -45.65 93.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.278 179.567 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.502 179.658 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.62 -58.85 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.245 179.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.436 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.34 -29.87 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.675 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -70.54 -37.38 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.304 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.07 -31.17 44.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 87.8 mt -76.77 -29.64 56.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.614 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -76.15 -40.05 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.95 -30.99 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.15 -30.65 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.11 -36.51 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.14 -30.57 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -76.86 -32.03 57.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.94 -31.67 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.74 -31.41 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.28 70.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.0 -32.25 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.64 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.976 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -84.29 153.04 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.34 148.57 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -112.32 152.75 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 6.3 tp -163.33 147.4 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.411 ' HD3' ' CD2' ' D' ' 327' ' ' TYR . 22.1 ttmt -114.83 128.62 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -115.56 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -62.9 -30.55 71.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.07 132.87 11.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -71.53 -46.85 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.67 -38.66 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.411 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -58.87 -48.65 80.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -58.85 -47.13 85.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.429 179.692 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -33.51 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 30.4 ttm -66.62 -59.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.451 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.2 m-85 -60.3 -28.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.28 -34.29 75.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.251 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -81.06 -31.61 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.286 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 3.0 mp -77.43 -30.87 53.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -77.57 -39.5 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.67 -28.18 55.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.19 -29.33 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.737 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.0 mt -77.32 -36.97 53.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.79 -28.18 61.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -32.34 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -66.53 -31.72 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.46 -34.45 75.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -67.48 -33.15 74.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.17 -68.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' C' ' 331' ' ' LYS . 76.8 m-85 61.04 112.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.442 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 3.4 m-85 -121.71 91.96 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 150.03 48.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.5 tp -168.1 134.61 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 131.66 54.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -108.07 142.38 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 31.71 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.18 118.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -60.7 -37.38 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -73.32 -46.37 49.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.01 -46.89 81.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 179.895 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.63 -34.25 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.615 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -59.81 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.446 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.8 m-85 -60.98 -27.69 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -69.55 -36.55 76.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.189 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.17 -31.57 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.239 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.6 -29.04 56.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.479 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -76.39 -41.72 46.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -74.59 -32.1 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.68 49.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.99 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.11 -31.31 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.5 -29.54 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -75.23 -38.93 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 9.7 ptpt -71.14 -30.51 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.86 -30.97 66.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.72 -31.24 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -30.91 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.1 36.64 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 23.8 m-85 -142.3 147.3 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -155.46 95.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.421 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 61.4 m-85 -63.82 146.53 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' B' ' 338' ' ' PHE . 61.1 tp -161.88 126.53 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 138.35 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.81 118.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -79.56 70.6 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.87 112.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -39.24 85.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.08 -44.26 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 9.1 mtm180 -57.51 -44.11 84.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.39 -49.03 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.17 -33.29 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -66.59 -58.0 6.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.322 179.502 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.97 -31.38 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.6 -38.41 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.163 179.487 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -79.83 -29.5 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.227 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.57 -30.5 52.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.567 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -77.45 -40.47 43.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.36 -29.75 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.2 -31.06 38.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 5.8 mt -77.8 -30.03 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.688 179.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.37 -27.88 61.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -42.84 70.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 1.6 ptpp? -65.79 -30.24 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.67 -31.52 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -85.38 -39.33 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 78.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.797 0.332 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 60.29 108.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -114.47 100.02 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.39 127.06 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -141.86 140.44 32.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.421 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 4.4 mptt -109.06 122.1 46.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.14 138.87 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 0.5 OUTLIER -98.54 31.3 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -136.63 114.02 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.494 -179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -60.21 -47.98 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -63.09 -40.56 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.421 ' HD3' ' CZ ' ' B' ' 341' ' ' PHE . 4.0 mmp_? -57.81 -49.37 76.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 330' ' ' LEU . 8.7 t80 -56.02 -44.5 78.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.28 -39.27 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.8 ttm -67.23 -59.47 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.052 179.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.9 m-85 -62.06 -18.96 62.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -36.21 59.45 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.223 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -80.22 -28.68 38.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.354 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.33 -32.32 49.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.528 179.541 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -76.12 -39.63 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.35 -31.13 60.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.06 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.6 mt -77.13 -30.52 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.769 179.84 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.66 -28.86 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.6 -40.55 69.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.5 ptpp? -66.56 -29.63 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.9 -32.42 72.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.87 -31.57 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.91 -30.91 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.53 -179.956 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . 0.412 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 2.8 tp10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.795 0.331 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -118.62 151.19 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 9.6 m-85 -145.18 112.69 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.64 144.15 54.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.408 HD12 ' CE1' ' D' ' 338' ' ' PHE . 15.9 tp -139.59 113.38 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.414 ' HG3' ' CD2' ' D' ' 329' ' ' PHE . 8.4 mptt -77.18 90.99 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.31 104.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -85.31 76.71 10.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.69 136.82 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -74.91 -41.06 60.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.06 -46.98 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 21.7 mtm180 -57.03 -45.09 83.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -60.14 -47.07 87.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.451 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -34.23 62.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.54 -58.42 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.313 179.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 3.5 m-85 -60.55 -29.69 69.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -68.41 -36.18 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.255 179.49 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -80.35 -30.49 38.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.52 -30.01 52.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.601 179.588 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.18 -39.47 48.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.1 -29.63 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.03 -33.69 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.8 -32.47 62.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -72.1 -28.95 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.22 -42.31 65.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -31.43 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -31.67 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -31.03 69.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.0 -33.49 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.77 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.514 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 60.45 100.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.406 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.8 m-85 -107.01 89.64 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.414 ' CD2' ' HG3' ' C' ' 331' ' ' LYS . 88.3 m-85 -60.37 152.27 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 24.0 tp -161.26 138.96 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.2 mp -107.5 143.21 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.96 96.88 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.54 128.47 2.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -60.26 -50.48 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.82 -33.19 75.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.445 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -62.23 -55.37 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.408 ' CE1' HD12 ' C' ' 330' ' ' LEU . 6.1 t80 -60.82 -42.4 97.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.083 179.472 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.29 -32.49 68.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.441 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 mtp -67.94 -59.61 3.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.344 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.7 m-85 -62.66 -25.8 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.726 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -72.1 -37.81 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.336 179.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.85 -29.96 40.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.305 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.62 -30.61 46.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 179.572 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -78.04 -39.49 41.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -30.07 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.632 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.59 -30.73 52.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 12.9 mt -76.22 -35.18 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.99 -30.28 65.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -38.19 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 14.0 ttmm -69.73 -31.18 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -32.08 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.93 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.26 -32.21 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.958 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.46 31.05 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.853 0.359 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.82 147.01 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.97 103.3 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.94 121.25 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -132.32 134.33 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -90.77 115.92 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 29.4 mm -107.62 131.77 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.5 95.65 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 154.27 128.61 1.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -64.63 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.12 -39.11 85.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.94 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.808 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.76 -44.46 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.53 -31.89 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.376 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.33 -60.01 2.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.261 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.3 m-85 -63.07 -28.55 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 179.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.143 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.81 -32.41 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.364 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 86.3 mt -71.02 -31.59 68.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.534 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -71.94 -47.63 51.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.29 -31.46 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 179.75 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.09 -31.99 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.888 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -71.82 -34.91 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.65 -30.47 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -44.91 83.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -60.71 -35.22 75.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.74 -31.47 69.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.74 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.36 -32.4 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.16 -43.43 82.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 8.4 pt-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -107.53 152.81 23.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB2' ' B' ' 326' ' ' GLU . 15.2 m-85 -150.35 122.01 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -73.66 148.2 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.7 tp -145.36 111.05 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -85.95 83.92 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.5 127.22 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -100.25 78.31 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.48 3.17 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.28 -42.52 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.48 -43.75 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 0.3 OUTLIER -58.6 -50.87 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.72 179.83 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.64 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.142 179.428 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.73 -32.58 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.371 179.457 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.9 ttm -66.8 -61.25 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.123 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.452 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 6.1 m-85 -58.96 -28.1 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.523 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.56 80.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.037 179.315 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.24 -32.03 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -72.36 -44.31 62.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.516 179.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -65.96 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.79 -43.28 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.09 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 tp -77.79 -37.16 49.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.67 -26.8 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.54 72.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -31.73 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.959 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -76.72 -31.13 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.49 -31.21 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.19 -31.37 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.59 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.542 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.809 0.337 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 60.91 111.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.403 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 66.5 m-85 -133.15 109.37 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.419 ' CD1' ' HG3' ' D' ' 331' ' ' LYS . 50.4 m-85 -69.39 152.72 44.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -165.0 118.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 108.06 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.49 135.64 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.03 -30.56 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -71.8 130.62 17.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -75.14 -49.66 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.1 -46.09 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.464 ' HG3' ' CZ ' ' C' ' 341' ' ' PHE . 3.6 tpt180 -57.97 -49.34 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.747 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 7.6 t80 -62.05 -44.15 97.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.151 179.443 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.52 -33.51 66.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.9 ttm -66.03 -60.12 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.423 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 6.6 m-85 -58.41 -29.23 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 179.598 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -65.2 -37.38 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.127 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -77.18 -31.48 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.86 -31.15 63.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 179.656 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -73.14 -44.0 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.717 179.802 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.91 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.866 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -36.53 70.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.4 -29.35 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.62 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -43.52 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.36 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.53 -32.71 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -74.39 -41.14 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.47 -54.33 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 179.97 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.3 139.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.409 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 15.1 m-85 -153.03 109.23 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.99 152.47 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 7.6 tp -162.59 138.18 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -109.35 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -76.65 101.69 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 66.19 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.15 115.77 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -60.21 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.343 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.18 -48.25 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.414 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 5.8 ttm180 -56.48 -44.17 80.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.403 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 12.1 t80 -61.45 -48.64 80.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -32.27 59.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttm -66.85 -57.68 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.384 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 1.8 m-85 -61.88 -31.73 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -32.4 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.363 179.505 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.43 -32.58 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.399 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 4.5 mp -73.77 -38.7 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.613 179.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -68.68 -37.49 79.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.669 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.18 -43.95 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 179.743 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 6.8 tp -72.29 -36.75 69.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.699 179.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.38 -29.56 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -49.9 52.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.31 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -70.08 -31.49 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.2 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -91.08 -35.87 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.32 -60.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 60.65 111.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.53 101.95 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.93 129.47 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 116.2 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -89.04 106.91 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -102.47 131.67 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -96.56 94.79 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.65 134.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -74.66 -33.57 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.765 0.317 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -75.39 -54.6 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 -55.04 -41.66 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.746 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -61.88 -47.07 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.611 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 342' ' ' ARG . 6.0 mm-40 -55.93 -30.75 62.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -72.92 -54.15 9.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.934 0.397 . . . . 0.0 110.27 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.6 m-85 -66.91 -28.52 68.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.216 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . 0.408 ' CG ' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -79.42 -32.62 42.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.969 0.414 . . . . 0.0 110.195 179.492 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -33.51 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.227 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -32.3 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 179.4 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.04 -43.44 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.714 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -75.01 -23.23 58.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.866 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -85.51 -29.67 24.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.913 179.835 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 179.766 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -31.76 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.08 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.6 pp -80.1 -29.94 39.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 ttmm -78.52 -29.9 46.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.82 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.17 -31.06 60.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.42 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.41 -32.43 37.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -57.05 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.17 106.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' N ' ' CD1' ' B' ' 328' ' ' PHE . 4.0 m-85 -113.03 114.37 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -68.81 151.61 46.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.0 tp -160.03 103.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -71.79 103.57 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.12 115.5 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 78.18 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.43 141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -73.94 -56.54 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.03 -37.8 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.443 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -59.72 -51.92 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.36 -45.25 94.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.246 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -56.44 -31.84 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -67.01 -61.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.103 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.443 ' CE2' ' HG3' ' B' ' 337' ' ' ARG . 6.2 m-85 -59.29 -28.45 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -68.64 -34.85 76.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.229 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.56 -30.99 41.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 15.5 mt -75.23 -30.24 60.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.615 179.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -75.83 -43.13 47.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.666 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.51 -30.05 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -31.3 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.99 -31.22 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.902 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.67 -30.18 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.36 82.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 9.3 mttp -60.31 -38.66 84.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -35.87 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.83 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -84.92 -36.81 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.09 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.472 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 60.78 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -124.2 117.97 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . 0.405 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 87.3 m-85 -64.46 127.26 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.42 ' CD1' ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -132.0 98.15 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -99.54 105.75 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -103.26 137.04 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 31.06 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.37 129.32 6.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -75.52 -42.48 52.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -73.93 -50.45 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -57.29 -40.37 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.728 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.33 -47.44 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.61 -34.62 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.697 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 tpp -66.17 -57.52 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.0 m-85 -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -37.01 84.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.221 179.452 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.36 -32.65 55.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.354 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.1 mt -73.61 -29.32 62.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.589 179.605 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.29 -44.64 51.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -32.07 66.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.21 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 14.6 mt -75.78 -31.18 59.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.92 -31.19 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.22 -41.65 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -31.54 72.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.94 -34.28 77.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.72 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -81.02 -41.95 21.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.56 36.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.537 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.6 147.7 26.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -134.1 95.88 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.79 137.01 56.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 14.3 tp -149.43 99.84 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . 0.405 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 15.3 ttmt -87.59 85.89 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -73.27 149.67 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -110.6 38.5 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.9 141.1 10.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -74.77 -66.98 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.9 -37.7 77.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.449 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.2 OUTLIER -60.52 -53.46 57.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.826 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE1' ' CD1' ' C' ' 330' ' ' LEU . 7.1 t80 -61.91 -43.98 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.76 -31.99 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.32 179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.9 -60.17 2.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.287 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.449 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.2 m-85 -62.46 -28.89 70.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.716 179.599 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -71.71 -37.2 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.169 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.86 -31.76 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.256 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 5.4 mt -75.5 -30.05 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.587 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.89 -42.1 58.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -72.37 -32.72 66.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.57 -30.69 59.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -74.61 -34.09 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.958 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.46 -29.36 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.56 -44.97 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.88 -31.03 71.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.96 -31.45 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.68 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -30.12 24.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -111.11 36.45 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.513 179.991 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 2.0 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.835 0.35 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -98.14 152.49 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 326' ' ' GLU . 18.1 m-85 -139.2 89.29 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.402 ' CE1' ' HB3' ' B' ' 329' ' ' PHE . 0.1 OUTLIER -65.79 129.5 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' B' ' 338' ' ' PHE . 17.2 tp -126.96 124.38 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 83.67 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -79.68 143.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -109.93 74.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.33 122.93 0.9 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.04 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.33 -49.49 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.1 -48.99 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 179.832 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.408 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.4 t80 -61.59 -43.49 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.185 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.71 -34.09 67.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -59.35 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.22 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.3 m-85 -63.41 -29.7 70.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.4 -33.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.072 179.335 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -81.54 -31.46 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 179.254 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.21 -33.01 56.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 179.518 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -75.93 -40.38 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.438 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.03 -32.45 67.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.646 179.708 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.82 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 12.3 mt -69.15 -39.77 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.666 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.61 -30.79 71.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -40.57 94.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -59.95 -33.01 71.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -38.3 83.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.32 84.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -65.06 -32.27 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.81 -71.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.537 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.8 0.334 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 60.55 106.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.408 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 17.4 m-85 -116.77 123.63 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . 0.402 ' HB3' ' CE1' ' A' ' 329' ' ' PHE . 68.4 m-85 -77.82 134.46 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 15.7 tp -139.07 115.81 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -90.74 103.24 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -103.11 99.43 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -71.4 79.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.26 135.11 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -74.5 -66.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -59.73 -37.35 78.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.44 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 tpp180 -59.31 -51.23 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.414 ' CE2' ' HG3' ' B' ' 342' ' ' ARG . 10.1 t80 -59.3 -46.72 87.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.257 179.587 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -55.19 -32.43 62.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.4 ttp -66.71 -60.85 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.187 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.44 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 7.0 m-85 -58.75 -27.48 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.414 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -67.9 -37.17 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.028 179.275 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.05 -32.64 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 32.7 mt -71.51 -31.18 66.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.504 179.639 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.08 -46.87 55.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -66.63 -31.3 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.34 -37.03 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -66.89 -38.42 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.737 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -30.39 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -38.41 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.1 -36.65 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -59.82 -33.04 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.69 -33.06 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -80.25 -40.88 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.84 32.03 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -159.21 152.54 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . 0.416 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 10.5 m-85 -141.58 98.71 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -60.21 116.61 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' D' ' 338' ' ' PHE . 4.0 tt -117.96 106.24 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' D' ' 327' ' ' TYR . 10.1 tttt -77.97 109.59 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mt -107.48 120.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . 0.416 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 10.5 ttt-85 -100.37 36.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.36 114.83 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.471 179.945 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.21 -44.23 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 2.7 ttm180 -61.99 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.431 179.719 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.09 -45.59 92.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.36 -34.71 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.29 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.281 179.456 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.429 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.2 m-85 -61.33 -29.68 70.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.768 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -69.73 -36.89 76.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.971 0.415 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -78.13 -32.32 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.299 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 66.2 mt -76.06 -33.29 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.545 179.568 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.26 -37.82 68.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.505 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -40.24 84.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.17 -26.37 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 179.453 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 6.3 mp -75.98 -45.46 34.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.752 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.87 -28.47 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -31.08 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -68.46 -36.41 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.88 -36.09 80.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.64 87.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.58 -39.37 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.39 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . 0.421 ' CD1' ' HE2' ' C' ' 331' ' ' LYS . 45.7 m-85 -102.78 153.0 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -144.51 89.73 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.13 152.87 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.99 111.33 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -86.63 83.59 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.7 mp -70.87 131.18 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -102.4 35.76 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.36 125.9 3.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -60.63 -66.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.76 -38.66 82.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 45.2 ttp180 -60.3 -53.44 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . 0.42 ' CE2' HD13 ' C' ' 330' ' ' LEU . 7.4 t80 -62.14 -43.79 98.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.034 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.57 -32.02 66.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.376 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.5 ttm -67.52 -60.43 2.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.189 179.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 2.7 m-85 -60.42 -27.16 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -69.67 -40.6 76.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.305 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -32.27 59.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.41 -31.6 62.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.472 179.519 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -71.56 -41.98 68.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.91 -30.1 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.01 -27.77 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.035 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.54 -31.26 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.0 -27.61 57.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.09 -38.63 61.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -68.39 -30.73 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.93 -31.52 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.13 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -89.24 -34.52 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.45 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . 0.417 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 13.5 m-85 61.46 114.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.53 138.66 50.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' B' ' 331' ' ' LYS . 23.3 m-85 -109.31 151.75 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.54 139.63 18.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -106.16 91.55 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 30.3 mm -72.11 125.95 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . 0.416 ' HD2' ' CZ ' ' B' ' 327' ' ' TYR . 25.0 ttp85 -98.69 32.48 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.58 128.04 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.88 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -36.62 79.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.422 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 2.2 ttm180 -58.78 -49.37 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -58.56 -48.6 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 179.621 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.55 -32.85 59.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -66.84 -58.46 4.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.337 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.422 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -60.19 -30.48 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.94 -39.69 87.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.9 -31.81 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.233 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -30.54 62.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -72.69 -44.31 61.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.58 -31.26 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.801 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.67 -29.12 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -38.04 86.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -33.48 73.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.89 -32.21 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.54 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -30.96 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.03 -63.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.436 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . 0.413 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 7.6 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.795 0.331 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . 0.416 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 73.6 m-85 -139.95 152.83 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . 0.413 ' CZ ' ' HG2' ' B' ' 326' ' ' GLU . 40.9 m-85 -145.46 150.82 37.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -108.43 152.2 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 17.0 tp -156.39 152.75 27.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . 0.417 ' HD3' ' CD2' ' A' ' 327' ' ' TYR . 5.1 tmmm? -143.75 145.59 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.4 mp -145.33 149.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -98.9 31.3 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.19 118.81 2.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.31 75.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -74.41 -46.8 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 7.7 ttm180 -57.74 -45.81 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' B' ' 342' ' ' ARG . 9.7 t80 -60.24 -45.96 91.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.311 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.26 -35.3 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttm -65.27 -59.53 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.244 179.413 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 6.7 m-85 -59.0 -30.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.613 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . 0.416 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -66.03 -33.83 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.015 0.436 . . . . 0.0 110.148 179.4 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.1 -27.24 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.24 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 3.5 mp -82.09 -38.05 25.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.74 179.773 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 49.0 p30 -79.85 -24.0 41.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.63 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' B' ' 345' ' ' ASN . 53.1 tt0 -82.97 -33.34 26.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.566 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.62 -32.64 47.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 2.3 mt -77.58 -34.14 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.58 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.9 -30.11 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.5 mt -73.49 -39.52 64.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -67.38 -31.11 71.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.61 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -31.7 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.72 73.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.521 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.865 0.364 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -103.97 153.0 21.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.5 126.28 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -87.69 153.0 21.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -170.92 124.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -88.25 143.4 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 27.0 mm -126.38 114.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -92.73 86.28 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.9 140.82 3.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -72.08 -43.81 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.2 -43.91 60.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' C' ' 341' ' ' PHE . 19.7 ttp180 -58.7 -51.21 70.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.635 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.406 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 7.7 t80 -62.01 -43.98 97.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.15 179.394 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.38 -32.42 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -67.34 -59.81 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.263 179.432 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' C' ' 341' ' ' PHE . 2.0 m-85 -62.89 -27.97 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.44 -38.56 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -31.2 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.317 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 44.0 mt -77.19 -29.58 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.647 179.644 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -76.09 -38.66 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.723 179.812 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -73.58 -34.97 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.54 -32.71 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.1 -30.32 62.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 179.81 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -70.03 -30.02 67.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.83 -43.76 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.936 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -68.84 -31.16 69.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.97 -34.46 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.49 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -30.94 48.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.74 60.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 60.77 111.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . 0.408 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 5.4 m-85 -132.46 109.14 9.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -62.45 151.7 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 13.8 tp -155.77 124.48 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -109.78 92.72 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -90.75 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 72.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.76 120.6 0.88 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -45.09 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.22 -45.99 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.64 -45.71 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.733 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.477 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -55.6 -29.02 58.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 31.1 ttm -71.38 -57.0 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.089 179.454 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.432 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.0 m-85 -63.84 -32.18 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.23 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -31.97 62.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.963 0.411 . . . . 0.0 110.094 179.476 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.92 -32.11 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.147 179.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -76.13 -34.61 59.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.356 179.452 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -72.8 -39.92 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.63 -37.28 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 179.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.85 -30.52 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.803 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.66 -32.85 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.688 179.834 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.73 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.21 -42.34 88.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.26 -31.27 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.71 -38.68 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.14 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.97 -31.64 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.14 -32.7 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -152.49 131.68 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -126.55 153.07 45.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -128.39 142.85 50.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 3.7 tp -141.31 113.07 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -89.14 83.69 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.3 mt -91.8 123.46 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -86.97 68.48 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.1 136.39 4.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -76.22 -47.05 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.71 -44.03 62.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 337' ' ' ARG . . . . . 0.434 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 17.7 ttp180 -58.39 -50.94 71.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 338' ' ' PHE . . . . . 0.416 ' CD1' HD21 ' B' ' 330' ' ' LEU . 8.0 t80 -62.57 -45.52 92.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.964 179.315 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.77 -31.4 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttm -67.62 -59.93 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 341' ' ' PHE . . . . . 0.434 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.41 -27.88 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.44 71.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.287 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.65 -32.91 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.339 179.463 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 76.7 mt -75.31 -29.43 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.519 179.483 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -73.3 -41.2 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.672 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -70.42 -38.29 74.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.757 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.2 -31.96 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.878 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -71.52 -32.69 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.696 179.828 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.8 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.59 -37.39 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -60.45 -35.78 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.39 -39.08 82.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.08 70.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.13 -52.47 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.34 37.35 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.509 179.965 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.823 0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 62.91 144.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -153.53 154.02 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -156.81 119.09 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 330' ' ' LEU . . . . . 0.416 HD21 ' CD1' ' A' ' 338' ' ' PHE . 1.4 pt? -115.25 142.03 47.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -99.22 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -93.82 130.99 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.89 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -131.67 126.25 4.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -66.82 -41.84 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -71.85 -46.33 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -57.57 -42.87 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.73 -48.02 83.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.518 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.23 -33.68 58.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.74 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.267 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.3 -29.41 69.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.756 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -68.92 -35.06 76.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.414 . . . . 0.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.32 -32.01 38.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.323 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 344' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.66 -30.2 51.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.532 179.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -76.57 -37.85 55.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.16 -33.7 63.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.768 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.81 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 3.4 mt -75.38 -31.33 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.849 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.94 -40.19 79.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -64.33 -40.16 95.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.46 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -77.47 -33.53 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.82 -58.08 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.517 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -133.26 111.1 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.26 124.7 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.32 152.41 25.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 48.8 tp -134.05 145.25 49.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 331' ' ' LYS . . . . . 0.415 ' HD2' ' CE2' ' D' ' 329' ' ' PHE . 18.2 tttt -128.28 103.76 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.25 127.4 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -98.82 31.57 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.84 143.39 12.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -74.74 -46.44 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.04 -42.07 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 337' ' ' ARG . . . . . 0.416 ' HG2' ' CZ ' ' C' ' 341' ' ' PHE . 6.2 ttm180 -57.9 -49.18 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 338' ' ' PHE . . . . . 0.404 ' CE1' HD12 ' D' ' 330' ' ' LEU . 11.0 t80 -59.28 -46.61 88.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.373 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.31 -33.12 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.3 ttp -66.73 -59.23 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.465 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 341' ' ' PHE . . . . . 0.416 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 5.4 m-85 -59.51 -29.29 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.77 -35.91 81.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.199 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -32.42 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.219 179.291 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 344' ' ' LEU . . . . . . . . . . . . . 1.8 mp -74.55 -30.82 61.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.424 179.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -73.4 -44.35 58.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 179.775 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.98 70.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.789 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.87 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.65 -27.3 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.71 -23.04 53.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 179.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.07 -44.12 31.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -69.05 -27.98 66.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -30.97 65.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.17 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.28 -31.4 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.79 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -130.37 152.96 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -148.88 153.06 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 329' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' D' ' 329' ' ' PHE . 4.2 m-85 -124.69 151.22 45.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 330' ' ' LEU . . . . . 0.404 HD12 ' CE1' ' C' ' 338' ' ' PHE . 3.3 tp -153.32 114.09 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -82.28 95.8 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 4.9 mt -102.18 112.5 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.986 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.72 75.68 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.11 128.58 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.424 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.11 -39.45 60.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -74.56 -47.05 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 337' ' ' ARG . . . . . 0.408 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 3.6 ttm180 -57.53 -43.92 84.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.64 -47.51 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.357 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -32.68 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.567 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.4 mmm -67.3 -59.37 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.452 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' D' ' 337' ' ' ARG . 2.5 m-85 -62.58 -28.35 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -34.56 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.275 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -80.85 -32.2 35.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.228 179.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 344' ' ' LEU . . . . . . . . . . . . . 1.7 mp -77.2 -30.66 54.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 179.581 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.36 -38.88 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.18 -31.66 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.9 -32.79 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 179.925 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.05 -31.5 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.882 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -71.75 -29.77 64.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -40.34 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.977 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.16 -32.12 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.72 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.79 -38.19 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -112.74 111.65 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.3 152.87 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.582 HD21 ' ND2' ' B' ' 345' ' ' ASN . 8.4 tp -152.38 100.72 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 329' ' ' PHE . 9.5 mttp -66.28 112.08 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.449 HG21 ' HA ' ' A' ' 338' ' ' PHE . 4.2 mt -111.66 110.87 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -95.42 93.35 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.45 141.61 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.18 -38.46 63.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -48.25 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.821 ' HD3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttp-105 -57.51 -49.53 76.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.811 ' CE2' HD13 ' B' ' 330' ' ' LEU . 7.6 t80 -63.5 -44.12 95.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.009 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.61 -31.87 66.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.412 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.2 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.4 m-85 -62.41 -27.96 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 12.7 tpt85 -72.76 -38.13 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.229 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.98 -30.75 50.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.24 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.696 HD21 ' CG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.27 -31.73 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.521 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' B' ' 332' ' ' ILE . 60.6 t30 -73.65 -44.37 57.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 350' ' ' LEU . 9.2 tt0 -72.02 -31.78 66.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.672 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.12 -30.72 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.992 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -33.99 63.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.761 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.46 -33.29 72.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.7 mm? -65.76 -37.23 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.34 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.4 -34.27 77.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.43 -36.11 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -80.17 -33.35 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.46 -62.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 61.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -129.98 97.5 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.429 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 90.1 m-85 -60.05 136.48 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.811 HD13 ' CE2' ' A' ' 338' ' ' PHE . 12.7 tp -143.27 123.22 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 139.94 40.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.418 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.8 mp -136.37 129.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.26 60.25 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.59 104.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -29.63 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -62.76 -52.54 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.15 -38.52 83.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.017 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.98 -45.29 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.373 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.01 -40.53 76.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.088 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.434 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.3 ttm -65.87 -59.59 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.879 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' B' ' 337' ' ' ARG . 7.6 m-85 -59.58 -24.39 63.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.071 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -71.44 -34.87 70.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.24 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.07 -31.37 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.364 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.665 ' CG ' HD21 ' C' ' 344' ' ' LEU . 2.4 mp -74.87 -31.5 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.575 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' HD21 ' A' ' 330' ' ' LEU . 17.8 m-20 -74.86 -42.92 56.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 350' ' ' LEU . 11.2 mt-10 -74.38 -30.42 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.711 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.513 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -78.97 -29.68 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.821 HD13 ' HD3' ' A' ' 337' ' ' ARG . 4.0 mt -78.56 -30.67 46.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -76.42 -31.42 57.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.2 mt -72.37 -32.24 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.523 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 3.1 mtpm? -67.38 -31.33 71.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -33.24 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.04 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -30.9 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 355' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 351' ' ' LYS . . . -93.39 -42.18 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.831 0.348 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -90.75 138.62 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -115.72 90.85 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 130.02 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.5 tp -131.34 108.26 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 92.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' C' ' 341' ' ' PHE . 28.9 mm -73.55 117.93 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 7.7 ttp180 -92.18 97.97 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 137.93 144.94 4.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.19 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.14 -42.6 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.525 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.28 -51.91 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CA ' HG21 ' C' ' 332' ' ' ILE . 7.3 t80 -62.46 -43.94 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.986 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -32.43 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.2 tpp -67.05 -60.17 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.204 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' C' ' 332' ' ' ILE . 4.9 m-85 -59.77 -27.42 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.79 -35.82 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.259 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.35 -31.02 38.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.36 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.1 mt -78.25 -29.56 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -77.45 -38.35 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.724 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.15 -31.97 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -78.37 -33.37 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.762 HD13 ' CG ' ' D' ' 337' ' ' ARG . 4.0 mt -75.97 -27.83 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.722 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.12 -40.48 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.575 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.4 pp -74.5 -27.57 60.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.791 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.575 ' N ' HD12 ' C' ' 350' ' ' LEU . 5.3 ttmm -76.3 -30.53 57.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.09 68.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.07 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.7 -37.75 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.01 -59.33 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.414 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 3.1 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.9 m-85 -123.74 106.12 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 11.7 m-85 -98.46 152.87 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.63 118.83 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' D' ' 332' ' ' ILE . 25.3 tp -127.28 135.38 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.91 109.2 21.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.514 HG22 ' H ' ' D' ' 334' ' ' GLY . 26.1 mm -97.05 125.07 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -98.31 31.38 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.53 120.5 2.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.91 -46.09 90.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.08 -45.77 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.762 ' CG ' HD13 ' C' ' 348' ' ' LEU . 5.4 mtm180 -56.97 -45.81 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' C' ' 330' ' ' LEU . 11.8 t80 -60.36 -48.33 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.43 -33.56 59.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -66.48 -58.34 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.5 -30.34 69.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.4 79.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.23 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -28.23 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.298 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' A' ' 344' ' ' LEU . 1.1 mp -78.53 -32.95 48.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.639 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -76.31 -36.84 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.27 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.777 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -80.18 -35.01 37.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.525 HD13 ' CD ' ' C' ' 337' ' ' ARG . 7.4 mt -78.59 -26.8 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.71 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.44 -29.33 46.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.76 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.98 -37.99 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -72.64 -31.85 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.81 -31.33 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.1 69.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -75.35 -31.54 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.41 -61.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -136.04 136.76 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' B' ' 331' ' ' LYS . 16.8 m-85 -100.58 150.06 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 332' ' ' ILE . 33.0 tp -158.43 116.28 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HD3' ' CD1' ' B' ' 327' ' ' TYR . 5.8 ttmm -107.12 84.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.768 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.8 mp -75.62 138.73 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -100.84 77.09 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.58 117.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' ARG . . . . . 0.408 ' HA ' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -59.89 -39.07 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.06 -44.11 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttm180 -58.0 -50.07 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' B' ' 328' ' ' PHE . 8.9 t80 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.275 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.28 -33.2 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.406 ' CE ' HD11 ' B' ' 348' ' ' LEU . 3.0 ttp -66.66 -59.04 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.263 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -61.34 -30.45 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.27 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.146 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.77 -31.27 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.798 ' O ' HD13 ' A' ' 348' ' ' LEU . 2.9 mp -76.47 -36.6 57.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.411 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -70.01 -37.29 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -70.7 -45.19 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.555 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -67.78 -29.31 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 344' ' ' LEU . 4.5 mp -69.29 -38.16 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.36 -31.11 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -48.06 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.87 -31.66 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.88 57.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.54 -31.84 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.22 -46.64 86.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.511 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.803 0.335 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 60.5 m-85 -83.35 153.05 24.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' A' ' 338' ' ' PHE . 79.1 m-85 -142.04 109.81 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -81.1 129.4 34.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -138.4 114.05 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 329' ' ' PHE . 30.8 mtpt -99.92 91.2 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.545 HG22 ' H ' ' B' ' 334' ' ' GLY . 4.7 mt -90.04 137.12 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.65 31.29 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.545 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.64 121.95 3.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.427 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.5 -35.72 73.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.06 -49.31 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.544 ' CG ' HD23 ' A' ' 348' ' ' LEU . 3.9 mtm180 -56.77 -46.93 81.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.744 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.577 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.3 t80 -59.44 -44.26 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.388 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.36 -36.2 63.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.0 ttm -66.05 -60.45 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.498 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.2 m-85 -59.66 -26.95 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.783 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -68.21 -37.8 81.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.157 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.93 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.276 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' C' ' 344' ' ' LEU . 14.4 mt -74.83 -29.36 61.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.768 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -74.8 -43.41 54.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.715 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.76 -32.83 65.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.78 -29.82 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 340' ' ' MET . 31.5 mt -79.06 -25.13 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.51 -35.0 35.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.549 ' C ' HD12 ' B' ' 350' ' ' LEU . 4.0 pp -78.23 -30.62 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.49 -28.65 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.04 -30.44 58.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.9 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.48 -40.58 80.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.01 -72.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.504 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 67.5 m-85 -129.74 122.84 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -120.49 110.53 16.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' D' ' 331' ' ' LYS . 6.3 m-85 -73.21 141.27 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' D' ' 338' ' ' PHE . 15.9 tp -135.37 100.08 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.425 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.5 OUTLIER -83.96 107.97 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -114.5 153.44 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.434 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 4.4 mtm180 -98.5 30.92 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.14 107.95 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.415 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -61.81 -44.16 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.69 -43.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.678 ' NE ' HD13 ' D' ' 348' ' ' LEU . 47.2 mmt-85 -56.85 -49.11 76.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.5 t80 -55.63 -44.05 76.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.18 -39.53 72.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.53 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.6 tpp -67.79 -59.45 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.006 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 5.3 m-85 -63.72 -16.67 61.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.388 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -81.75 -32.74 31.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.91 0.386 . . . . 0.0 110.227 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.02 -31.58 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.38 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 11.7 mt -77.6 -31.21 52.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -77.14 -37.44 53.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.39 -25.29 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.97 -30.34 31.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' D' ' 337' ' ' ARG . 7.7 mt -78.93 -33.54 45.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -29.27 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.726 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -30.5 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.744 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' B' ' 350' ' ' LEU . 20.0 mtpt -67.24 -33.72 75.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.68 -41.15 98.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.98 -31.36 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -42.85 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.64 58.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 60.69 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.5 m-85 -118.64 108.87 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 10.9 m-85 -75.7 111.74 11.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.87 HD23 HD11 ' D' ' 332' ' ' ILE . 15.8 tp -107.51 104.87 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.409 ' HE2' ' CD1' ' C' ' 327' ' ' TYR . 32.5 tttt -71.5 102.65 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.87 HD11 HD23 ' D' ' 330' ' ' LEU . 25.1 mm -86.11 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 10.5 ptm180 -132.49 78.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.25 127.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -60.49 -35.97 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -44.14 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.684 ' HG3' HD13 ' C' ' 348' ' ' LEU . 2.5 ttm180 -57.36 -48.02 80.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD13 ' C' ' 330' ' ' LEU . 11.4 t80 -59.87 -47.12 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.378 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.46 -32.62 62.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.3 ttm -67.06 -59.12 3.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CE1' HD12 ' D' ' 332' ' ' ILE . 3.7 m-85 -61.53 -29.94 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -34.8 74.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.137 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.71 -31.57 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.73 ' O ' HD12 ' D' ' 348' ' ' LEU . 81.0 mt -75.66 -30.45 59.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.538 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.47 -43.02 51.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.54 -30.16 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.51 -27.11 51.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.73 HD12 ' O ' ' D' ' 344' ' ' LEU . 3.0 mt -77.07 -38.08 53.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.97 -23.66 58.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.49 -34.5 58.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.555 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 14.7 ptpt -75.36 -30.79 60.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.48 -31.94 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.55 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.58 -32.1 70.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.61 -63.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.441 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 4.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 6.5 m-85 -137.25 105.27 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.428 ' CE2' ' HE3' ' B' ' 331' ' ' LYS . 78.8 m-85 -71.14 152.91 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' B' ' 338' ' ' PHE . 11.9 tp -155.64 110.71 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.448 ' CG ' ' CE2' ' B' ' 329' ' ' PHE . 3.8 mtmp? -71.64 83.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' B' ' 330' ' ' LEU . 3.9 mt -79.23 120.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttp-105 -92.65 129.65 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 117.37 142.29 7.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -36.22 56.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.8 -45.48 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HD3' HD13 ' B' ' 348' ' ' LEU . 19.1 ttp180 -58.33 -50.4 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -62.88 -44.17 96.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.119 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.6 -31.73 66.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.46 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.646 ' CE ' HD22 ' B' ' 344' ' ' LEU . 8.3 mtp -67.65 -59.25 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.315 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.7 m-85 -63.47 -28.05 69.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -74.32 -37.99 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.367 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.52 -32.51 48.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.446 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -28.37 48.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.584 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -77.18 -36.57 54.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.727 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.64 -36.36 60.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.716 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.54 56.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' B' ' 340' ' ' MET . 25.4 mt -77.23 -30.82 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.96 -30.44 63.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -37.09 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.547 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 2.5 ttmm -63.6 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.39 -33.04 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.56 62.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -73.73 -34.08 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.06 -31.28 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.868 0.366 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.1 106.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.8 m-85 -110.78 104.55 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 331' ' ' LYS . 57.0 m-85 -61.15 142.93 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.544 HD22 HG13 ' B' ' 332' ' ' ILE . 1.4 tt -141.84 109.76 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 329' ' ' PHE . 0.8 OUTLIER -79.08 83.97 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.544 HG13 HD22 ' B' ' 330' ' ' LEU . 4.5 mt -80.43 106.55 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 77.48 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.52 133.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.28 -38.94 65.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.06 -45.53 63.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -46.78 82.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.9 t80 -58.47 -45.87 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.94 -36.68 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.453 ' HE1' HD11 ' A' ' 348' ' ' LEU . 1.4 ttp -65.76 -59.87 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.156 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.7 m-85 -60.48 -27.58 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.94 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.134 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.46 -31.26 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.195 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.814 HD21 ' HG ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -75.91 -31.02 58.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.467 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.34 -42.02 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.79 -31.13 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.86 -31.15 59.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.045 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.4 mt -74.44 -35.26 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.1 -27.71 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.781 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -72.49 -43.21 63.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -65.98 -30.69 71.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.2 -32.17 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.01 -32.43 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.75 -31.52 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.85 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 18.6 m-85 -88.88 150.27 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -140.75 93.58 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.58 130.78 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' C' ' 332' ' ' ILE . 22.7 tp -132.99 132.09 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -110.3 120.26 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.545 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.7 mp -130.82 137.86 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -98.47 34.26 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.73 135.86 12.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -75.18 -67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.79 -39.12 83.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' D' ' 348' ' ' LEU . 20.1 ttp180 -59.63 -52.41 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.4 t80 -61.28 -45.4 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.104 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.87 -31.8 65.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.11 -59.62 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.466 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 2.0 m-85 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.766 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.29 -37.19 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.64 -31.36 41.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.814 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -77.42 -30.17 53.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.539 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -76.28 -39.3 54.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.747 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.1 mt-10 -72.16 -31.81 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -74.07 -36.5 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.751 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.6 mm? -70.96 -33.03 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.89 -30.84 70.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.747 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.6 mm? -68.96 -47.48 65.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.6 OUTLIER -62.65 -31.02 71.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.3 -33.26 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.38 -31.16 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -88.68 -34.0 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.6 -67.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.879 0.371 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -158.22 152.92 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 9.1 m-85 -140.08 92.05 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.53 149.49 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' D' ' 332' ' ' ILE . 6.8 tp -142.09 116.5 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -110.99 106.92 16.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.1 mt -120.61 150.53 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -104.23 36.85 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.97 127.9 6.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -75.21 -47.11 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.56 -38.58 74.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.8 OUTLIER -60.08 -52.58 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.236 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.6 -35.69 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -66.08 -60.11 3.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.177 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.6 -26.81 65.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -66.82 -36.68 82.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.181 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.03 -34.19 57.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.651 ' O ' HD12 ' D' ' 348' ' ' LEU . 53.4 mt -73.83 -29.43 62.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.559 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -73.52 -42.58 61.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -72.13 -33.73 68.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -76.48 -30.4 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.015 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' C' ' 337' ' ' ARG . 4.2 mt -76.24 -30.51 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -73.1 -30.06 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.77 -35.78 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.03 -35.18 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -81.28 -32.58 33.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -87.44 -31.93 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.534 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CD2' ' HE2' ' B' ' 331' ' ' LYS . 84.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -146.01 92.03 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.41 141.07 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 332' ' ' ILE . 16.5 tp -159.67 123.37 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -86.83 121.44 29.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 330' ' ' LEU . 25.2 mm -105.13 142.33 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.21 101.56 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 151.21 122.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -58.94 -44.06 91.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.59 -47.03 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.693 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.18 -45.24 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.864 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.53 64.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.379 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttm -67.08 -61.04 2.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 344' ' ' LEU . 5.2 m-85 -59.63 -27.74 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -38.72 79.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.223 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.18 -32.27 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.213 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' D' ' 344' ' ' LEU . 8.2 mt -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.497 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.94 -43.78 52.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.85 -31.41 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.454 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -77.29 -31.11 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -76.24 -30.37 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -73.69 -31.14 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.12 -34.05 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.1 -32.04 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -66.05 -35.97 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.45 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -73.03 -31.91 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.11 -53.71 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.4 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.92 152.91 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 13.9 m-85 -149.93 111.06 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.42 139.02 57.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -152.19 145.36 24.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.433 ' HE2' ' CD2' ' A' ' 327' ' ' TYR . 3.7 ptmm? -108.63 146.4 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -124.66 122.54 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.5 ttm105 -97.43 37.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.41 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.59 120.8 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -46.92 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -69.18 -44.1 72.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.6 ttm180 -58.14 -42.87 86.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.28 -48.2 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -53.92 -35.26 61.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.5 -57.61 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.386 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.8 m-85 -59.85 -30.67 69.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -35.29 80.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.153 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -32.47 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.308 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.825 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -74.25 -31.37 62.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.555 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -73.66 -42.14 61.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.83 -29.8 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.3 -31.32 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -74.28 -38.88 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.84 -29.72 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -32.31 67.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 11.1 mttt -71.33 -38.04 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.45 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.83 -32.61 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.47 76.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 58.1 m-85 -103.3 118.98 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -104.19 136.56 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -100.34 147.87 25.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.714 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -148.94 109.34 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.41 105.46 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.714 HD11 HD23 ' C' ' 330' ' ' LEU . 3.9 mp -111.83 142.89 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 36.83 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 126.99 5.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -69.12 -47.33 65.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.36 -41.82 69.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.847 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.39 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.6 -43.73 98.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.083 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -57.31 -32.39 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.357 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.1 -60.75 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.211 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -61.67 -28.39 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -70.52 -33.6 71.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.204 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.19 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.213 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.693 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -76.78 -32.02 57.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.499 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' D' ' 332' ' ' ILE . 17.4 t30 -75.28 -39.96 59.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.658 ' O ' HD12 ' C' ' 350' ' ' LEU . 19.4 tp10 -73.64 -34.08 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.75 -33.14 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.2 mt -73.35 -30.98 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -68.59 -30.88 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.1 -45.89 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.26 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.07 -34.72 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.23 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -70.1 -36.53 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.76 32.11 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -87.9 151.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -147.42 87.92 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.74 151.73 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.914 HD23 HD11 ' D' ' 332' ' ' ILE . 13.1 tp -152.22 116.0 4.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -106.42 85.97 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.914 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mt -81.95 140.29 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 8.2 ptm180 -98.3 35.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.36 131.62 6.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.66 -41.44 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -75.46 -47.38 27.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.593 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -56.99 -45.92 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.0 -46.96 88.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -33.4 63.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.85 -58.35 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.307 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.25 -29.76 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -69.04 -36.85 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.277 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.1 -31.36 44.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.335 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.62 -29.79 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -75.94 -40.21 54.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.28 -33.26 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -31.68 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.847 HD13 ' HD3' ' C' ' 337' ' ' ARG . 5.5 mt -74.45 -31.93 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.12 -30.2 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.56 -37.07 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.6 OUTLIER -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.84 -35.73 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.88 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -32.61 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.498 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 30.8 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.69 102.2 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -64.61 152.51 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 332' ' ' ILE . 45.3 tp -158.85 120.98 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -102.6 112.99 25.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.7 mp -116.91 140.55 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -98.51 31.12 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -116.55 113.63 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -68.22 -41.58 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.31 -54.51 7.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -55.92 -39.09 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.92 -47.17 84.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.43 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -34.56 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.5 ttp -66.38 -57.67 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.82 -30.14 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -68.1 -39.93 82.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.231 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -76.83 -32.12 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.237 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.025 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.55 -30.11 61.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.557 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -42.82 62.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.707 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.612 ' O ' HD23 ' A' ' 350' ' ' LEU . 18.7 tt0 -72.18 -31.13 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.94 -32.0 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 351' ' ' LYS . 2.0 mm? -75.05 -30.95 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -77.97 -31.38 50.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -78.11 -36.12 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -76.77 -29.23 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.91 -30.82 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.34 54.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -76.35 -31.65 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.57 -44.72 23.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.48 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 60.76 111.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -122.5 110.32 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -82.54 152.93 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.1 tp -154.67 139.52 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -103.97 93.78 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.7 mp -75.93 106.65 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 4.4 ttm-85 -91.59 75.97 5.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 146.68 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -75.91 -56.88 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.08 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 1.3 ttp85 -60.24 -53.16 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.55 ' CA ' HG21 ' B' ' 332' ' ' ILE . 7.6 t80 -61.68 -44.38 97.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.012 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.1 -31.78 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.325 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.629 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -66.98 -60.98 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.158 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.89 -28.63 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -68.09 -34.44 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.973 0.416 . . . . 0.0 110.216 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -80.45 -32.18 37.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.35 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mp -76.37 -29.95 57.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.517 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -76.11 -40.78 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.712 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.08 -31.48 64.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.05 -31.25 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -74.39 -34.91 63.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -69.76 -31.13 68.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.41 -39.38 81.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.41 -37.52 83.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.52 -32.88 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.14 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.21 -47.79 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.818 0.342 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 62.06 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -153.35 92.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.26 136.31 55.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' C' ' 332' ' ' ILE . 13.3 tp -137.85 100.42 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -67.57 97.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' C' ' 330' ' ' LEU . 25.4 mm -85.16 114.48 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -92.36 48.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.27 117.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -59.97 -41.33 91.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.327 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -50.99 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.53 -41.43 76.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD12 ' D' ' 330' ' ' LEU . 12.1 t80 -62.21 -48.24 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.4 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.6 -33.48 60.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -66.61 -57.87 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.22 -30.53 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.239 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -78.57 -32.15 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.23 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.818 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.2 mp -75.15 -31.02 60.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -73.17 -42.39 62.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.85 -31.47 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.93 -31.62 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.995 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.818 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.39 -39.37 68.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.796 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -66.43 -31.07 71.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.11 -42.65 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -60.17 -31.7 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.32 -38.37 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.18 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.5 -44.0 22.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.57 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 60.21 106.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 5.6 m-85 -122.7 95.63 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' C' ' 331' ' ' LYS . 95.6 m-85 -59.75 126.6 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.647 HD12 ' CE2' ' C' ' 338' ' ' PHE . 4.2 tt -128.71 104.29 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -80.71 124.14 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.54 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -119.08 130.16 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 31.09 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.24 115.2 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.1 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.92 -54.77 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.97 -37.51 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.71 -47.91 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.336 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.07 -32.96 62.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.1 ttm -67.03 -57.8 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.86 -30.41 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.27 -37.59 77.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.186 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.21 -31.36 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.238 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.42 -30.53 57.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.51 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.36 -31.74 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.34 -32.68 64.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.77 -39.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.56 -30.18 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.08 -45.08 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.777 ' HD3' HD13 ' D' ' 348' ' ' LEU . 6.4 ptmm? -70.67 -30.29 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.82 -31.01 56.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.4 -31.01 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -31.72 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.38 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.502 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE2' ' HG2' ' B' ' 333' ' ' ARG . 70.9 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -151.39 89.48 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -95.46 135.84 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.578 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.8 pt? -137.28 138.95 40.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.411 ' HB3' ' CZ ' ' B' ' 329' ' ' PHE . 7.6 ptpp? -63.07 115.84 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' B' ' 330' ' ' LEU . 2.0 mt -107.47 105.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -84.56 75.17 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.62 114.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -60.08 -49.73 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.25 -42.31 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.8 ttm180 -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.2 t80 -59.87 -48.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.28 -33.28 58.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.73 -58.53 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -59.06 -29.77 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -65.47 -40.31 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.117 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -31.8 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.11 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 1.003 HD22 HD11 ' D' ' 344' ' ' LEU . 63.8 mt -73.59 -29.81 62.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.396 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.818 ' OD1' HG23 ' B' ' 332' ' ' ILE . 1.4 t30 -72.97 -46.58 51.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.11 -32.39 68.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.8 -30.07 61.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.805 HD13 ' HD2' ' A' ' 351' ' ' LYS . 2.2 mm? -72.53 -37.77 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.741 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -69.5 -29.85 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.93 -44.61 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.805 ' HD2' HD13 ' A' ' 348' ' ' LEU . 17.3 ptpt -69.5 -29.22 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.92 -31.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.02 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.02 -38.72 44.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.31 -59.67 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 9.5 pt-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -90.67 134.12 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.9 m-85 -110.34 93.03 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 331' ' ' LYS . 8.6 m-85 -59.88 142.44 53.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.885 HD23 HD11 ' B' ' 332' ' ' ILE . 6.8 tp -136.81 117.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -88.5 123.56 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.885 HD11 HD23 ' B' ' 330' ' ' LEU . 5.1 mt -127.67 133.29 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HG2' ' CE2' ' A' ' 327' ' ' TYR . 3.5 mtt85 -95.99 69.01 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.53 1.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -36.62 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.38 -46.34 55.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.35 -44.4 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.732 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.578 ' CE1' HD22 ' A' ' 330' ' ' LEU . 11.9 t80 -60.23 -47.55 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.58 -34.04 61.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttm -66.49 -58.68 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.279 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.648 ' CD1' HD13 ' B' ' 332' ' ' ILE . 4.0 m-85 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -67.1 -38.03 84.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.406 . . . . 0.0 110.17 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -78.76 -31.42 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.283 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.813 HD22 HD21 ' C' ' 344' ' ' LEU . 7.0 mt -77.3 -28.65 53.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.628 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -76.92 -39.15 51.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.669 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -73.49 -33.09 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.27 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.0 mm? -74.29 -34.85 63.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.58 -30.85 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -34.07 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 ttmt -65.27 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.75 -39.63 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.76 -31.47 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.87 -31.44 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 355' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -61.86 -31.15 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -85.61 119.0 25.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -106.32 96.16 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.27 112.67 4.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.474 HD23 HD11 ' C' ' 332' ' ' ILE . 18.1 tp -123.35 131.13 53.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' D' ' 329' ' ' PHE . 2.9 ptmm? -98.39 112.0 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.474 HD11 HD23 ' C' ' 330' ' ' LEU . 26.7 mm -97.69 133.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.431 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.86 116.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.93 -46.14 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.74 -45.16 53.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.752 ' CG ' HD13 ' D' ' 348' ' ' LEU . 18.3 mtm-85 -57.52 -45.13 85.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' D' ' 330' ' ' LEU . 11.3 t80 -60.64 -48.26 82.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.58 -33.46 60.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 mtp -66.76 -57.93 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.343 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.6 m-85 -61.05 -31.09 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.71 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -69.36 -41.96 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.65 -30.6 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.023 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.813 HD21 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.04 -42.3 60.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.302 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -68.44 -38.54 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.668 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.725 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -73.28 -28.18 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.077 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' C' ' 344' ' ' LEU . 4.1 mt -81.4 -25.74 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -27.65 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' C' ' 347' ' ' ALA . 1.5 pp -76.75 -37.12 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.475 ' HD2' HD23 ' C' ' 348' ' ' LEU . 2.5 ptpt -75.74 -30.65 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -75.68 -30.51 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.9 65.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.71 -44.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.25 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 60.72 111.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.2 m-85 -129.63 128.72 43.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' C' ' 331' ' ' LYS . 45.2 m-85 -85.72 121.89 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.642 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 11.7 tp -124.7 129.89 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 84.17 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.608 HD12 ' CE2' ' D' ' 341' ' ' PHE . 29.6 mm -70.58 92.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -73.01 78.15 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.34 122.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -61.83 -38.71 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -49.64 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.67 -43.42 80.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' D' ' 332' ' ' ILE . 11.2 t80 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -54.6 -34.51 62.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.602 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -66.24 -59.2 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' D' ' 332' ' ' ILE . 3.2 m-85 -61.88 -29.86 70.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -70.9 -37.47 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.81 -29.65 40.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.96 -30.97 56.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.529 179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -75.84 -40.76 54.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -31.52 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -77.23 -32.59 55.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.0 mt -74.64 -31.15 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.84 -30.56 67.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.6 -38.51 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.86 70.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.66 -31.74 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.72 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -80.13 -39.09 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.84 31.06 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -125.77 117.36 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.02 122.19 17.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 332' ' ' ILE . 11.5 tp -117.89 152.12 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -136.1 125.65 25.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -122.26 126.34 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 6.6 ptm180 -98.59 33.36 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.505 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.71 139.68 9.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.54 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.0 -38.25 79.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.622 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.82 -50.57 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.803 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.03 -46.84 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.57 -32.7 63.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.97 -58.89 4.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.1 m-85 -60.61 -29.47 69.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.79 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.223 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.51 -31.96 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.32 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 348' ' ' LEU . 76.6 mt -77.3 -29.1 53.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.36 -39.51 47.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.72 -31.9 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.32 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.29 -30.95 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.77 -30.81 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.44 -34.6 76.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -39.07 93.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -33.25 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.22 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -70.91 -32.62 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.97 64.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.816 0.341 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -106.1 150.68 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -137.87 152.85 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 331' ' ' LYS . 5.4 m-85 -120.37 152.95 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -164.41 104.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -87.35 97.73 10.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -84.88 141.68 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.53 32.65 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.15 117.08 2.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -62.55 -47.18 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.74 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.1 ttm180 -57.67 -48.27 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.0 t80 -59.92 -46.14 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.38 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -33.43 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttm -66.76 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.239 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' B' ' 344' ' ' LEU . 4.5 m-85 -59.83 -29.02 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.28 -35.22 79.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.198 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.24 -31.49 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.023 HD22 HD11 ' C' ' 344' ' ' LEU . 11.4 mt -77.17 -29.49 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.579 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -77.22 -39.48 48.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.709 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.419 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -74.85 -31.21 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.51 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -77.03 -32.39 56.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.419 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.4 mt -71.36 -31.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.547 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.32 -32.2 73.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.4 -33.69 76.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.28 -32.06 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 354' ' ' GLN . . . . . 0.676 ' OE1' HD21 ' C' ' 350' ' ' LEU . 5.0 mt-30 -77.4 -33.97 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.52 -58.17 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.543 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' D' ' 333' ' ' ARG . 8.2 m-85 60.62 84.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' D' ' 338' ' ' PHE . 1.5 p90 -150.5 131.33 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -93.88 154.57 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -128.72 125.85 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -60.61 108.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.64 98.14 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -73.86 93.12 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.1 127.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -60.84 -62.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -59.1 -34.69 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.55 -54.5 42.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.57 -43.32 99.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.046 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.98 -32.08 67.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.271 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.1 mtp -67.51 -61.01 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.58 -26.29 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -75.12 -39.08 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.277 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.66 -32.56 53.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.252 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.023 HD11 HD22 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -75.26 -30.39 60.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.461 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.71 -42.23 64.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.558 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.75 -38.64 80.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -70.47 -36.01 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.2 mm? -67.62 -31.84 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -34.35 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.676 HD21 ' OE1' ' B' ' 354' ' ' GLN . 0.6 OUTLIER -61.95 -44.79 96.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -59.52 -31.54 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -38.38 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.51 -31.19 65.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -74.92 -32.1 61.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.22 31.97 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 5.7 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -107.41 152.91 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 10.6 m-85 -132.11 93.01 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -85.67 139.46 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.9 tp -127.6 132.78 49.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -69.12 113.48 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mm -109.44 87.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' C' ' 327' ' ' TYR . 0.5 OUTLIER -73.47 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.812 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.69 113.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -57.21 -29.72 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.41 -59.59 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.657 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.642 ' CD2' HD22 ' C' ' 330' ' ' LEU . 7.8 t80 -62.02 -45.3 94.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.3 -35.59 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.43 -59.64 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.245 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.73 ' HA ' HD12 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.71 -28.92 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.13 84.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -77.18 -35.45 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.19 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.803 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.1 mt -71.43 -27.95 63.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.375 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -73.23 -47.85 39.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.47 -30.77 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.16 -31.09 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.803 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -76.2 -34.87 59.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -73.88 -31.2 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.79 -31.53 64.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.561 ' NZ ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -68.87 -32.08 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.33 -33.28 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.19 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.14 -31.74 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.83 -30.93 45.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 14.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -87.16 152.34 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -105.59 145.91 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.702 HD13 ' CE2' ' B' ' 338' ' ' PHE . 13.8 tp -161.6 126.52 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.64 92.76 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.582 HD11 HD23 ' A' ' 330' ' ' LEU . 28.1 mm -74.46 132.3 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.71 31.12 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -130.67 131.51 6.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -69.12 -53.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.63 -42.75 67.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -47.13 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -59.34 -46.98 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.495 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -54.96 -34.89 63.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.96 -58.38 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.261 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.43 ' HA ' HD12 ' A' ' 344' ' ' LEU . 2.3 m-85 -62.7 -28.85 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -36.76 74.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.139 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.43 -34.27 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.987 HD22 HD11 ' D' ' 344' ' ' LEU . 16.1 mt -71.84 -34.98 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -67.54 -42.66 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.43 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.8 -45.46 78.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.57 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.627 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' HG2' ' B' ' 337' ' ' ARG . 8.9 tp -67.71 -39.51 84.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.44 -36.54 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.94 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 4.3 ttmt -60.2 -34.94 74.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -39.76 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.83 -31.06 69.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -112.32 28.66 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.95 -37.29 10.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.52 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.9 mp0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.96 89.93 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 21.5 m-85 -72.51 116.89 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.05 130.09 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 330' ' ' LEU . 8.9 tp -143.19 142.17 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -106.76 88.66 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -73.24 119.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.438 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -93.93 106.98 18.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 139.33 145.48 4.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.93 -64.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.18 -36.28 75.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.766 ' HG2' HD22 ' A' ' 348' ' ' LEU . 7.8 tpt180 -60.11 -52.65 64.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.1 t80 -61.37 -46.27 90.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.035 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.37 -31.85 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.414 ' HG2' HD12 ' B' ' 344' ' ' LEU . 35.3 ttm -66.67 -60.01 3.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.218 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -62.47 -30.13 71.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.39 -37.72 65.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.209 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.15 -30.08 43.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.189 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.32 -30.79 60.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.527 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -75.2 -43.48 51.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -31.15 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -79.0 -30.72 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.789 HD21 ' OE1' ' C' ' 343' ' ' GLU . 16.7 mt -76.47 -29.76 57.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.84 -33.3 68.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.42 -34.99 79.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.42 -35.13 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.35 -34.39 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.01 68.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -85.76 -53.66 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.29 123.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.16 153.53 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' D' ' 331' ' ' LYS . 3.5 m-85 -110.13 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.8 tp -160.0 134.8 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.431 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -95.29 86.89 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.551 HG23 HD21 ' D' ' 345' ' ' ASN . 3.7 mp -76.34 151.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -115.27 148.9 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 144.15 8.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -44.92 52.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.37 -36.36 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.655 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.59 -55.44 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.87 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.1 t80 -60.88 -41.66 96.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.22 -32.75 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.508 ' HE3' HD21 ' D' ' 344' ' ' LEU . 0.0 OUTLIER -67.8 -61.2 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.156 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.465 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.1 m-85 -62.72 -25.6 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.5 67.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 343' ' ' GLU . . . . . 0.789 ' OE1' HD21 ' B' ' 348' ' ' LEU . 3.9 tm-20 -80.15 -33.5 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.329 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.803 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.25 -30.52 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.465 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.12 -39.71 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.0 pt-20 -72.24 -34.35 68.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.99 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' D' ' 337' ' ' ARG . 20.9 mt -71.35 -39.4 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -33.79 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.411 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.5 mm? -65.85 -38.79 89.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.8 mttp -59.98 -36.38 77.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.61 -31.05 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.48 -43.99 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -29.38 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.4 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.529 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 59.98 106.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.94 113.16 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 13.3 m-85 -70.73 135.52 48.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 1.04 HD23 HD11 ' D' ' 332' ' ' ILE . 17.8 tp -134.68 126.04 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -87.29 83.8 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 1.04 HD11 HD23 ' D' ' 330' ' ' LEU . 32.2 mm -70.16 128.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.78 74.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.23 134.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -36.44 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.58 -53.04 17.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' C' ' 348' ' ' LEU . 15.1 ptp180 -56.14 -47.32 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.81 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.401 ' CZ ' ' HD3' ' D' ' 342' ' ' ARG . 4.9 t80 -59.01 -40.85 86.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.313 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.07 77.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.69 -53.81 51.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.473 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.9 m-85 -59.43 -36.01 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.704 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HD3' ' CZ ' ' D' ' 338' ' ' PHE . 1.1 tpt180 -62.78 -40.41 97.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.09 -30.36 55.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.31 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.01 -30.56 58.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.665 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.551 HD21 HG23 ' C' ' 332' ' ' ILE . 3.8 m-20 -74.45 -40.89 61.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.455 ' O ' HD12 ' D' ' 350' ' ' LEU . 18.1 mt-10 -75.76 -26.84 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -83.02 -30.98 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.749 HD23 ' HD3' ' D' ' 351' ' ' LYS . 5.5 mt -81.57 -28.12 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -27.46 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.455 HD12 ' O ' ' D' ' 346' ' ' GLU . 3.0 mt -79.11 -32.16 44.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.749 ' HD3' HD23 ' D' ' 348' ' ' LEU . 17.6 ptmt -75.65 -31.48 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.76 -32.06 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.65 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.99 -36.74 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.34 74.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -103.41 88.33 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -93.95 147.6 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 330' ' ' LEU . 1.9 pt? -153.11 145.34 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -77.5 121.46 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.455 HD12 HD21 ' B' ' 345' ' ' ASN . 25.4 mm -103.96 90.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.9 79.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.36 142.83 3.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -76.11 -66.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.87 -38.63 82.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.458 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 33.6 ttp180 -59.96 -52.84 63.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 8.2 t80 -62.15 -45.09 94.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.976 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.08 -31.45 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.364 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.457 ' CE ' HD22 ' B' ' 344' ' ' LEU . 11.2 ttp -67.54 -59.9 2.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.458 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.75 -28.05 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -71.6 -40.53 69.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.26 -33.01 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.291 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.76 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.44 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -71.88 -41.96 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.714 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -32.47 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.95 -31.0 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -38.59 67.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.32 -31.59 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.87 -36.76 78.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -33.77 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -31.23 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -80.22 -30.74 38.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' GLN . . . . . 0.714 ' OE1' ' HB2' ' A' ' 355' ' ' ALA . 0.0 OUTLIER -88.83 -30.25 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.714 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . . . -123.17 -57.49 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.37 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.7 m-85 -110.08 100.75 9.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.35 147.32 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.667 HD23 HD11 ' B' ' 332' ' ' ILE . 13.7 tp -148.34 127.56 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -102.96 84.79 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.667 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -91.74 118.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -93.53 47.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.33 117.98 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.96 -57.16 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.81 -41.73 87.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.97 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.797 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.45 ' CE1' HD22 ' A' ' 330' ' ' LEU . 10.1 t80 -58.69 -46.02 88.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.63 -34.73 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -59.47 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.21 -28.89 67.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -36.24 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.408 . . . . 0.0 110.095 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -32.42 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.267 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -73.52 -30.48 63.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.467 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.455 HD21 HD12 ' A' ' 332' ' ' ILE . 25.4 m-80 -73.66 -44.97 55.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.733 ' O ' HD23 ' B' ' 350' ' ' LEU . 7.1 mt-10 -71.84 -30.7 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.437 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -77.24 -31.86 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.5 mt -75.29 -30.67 60.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -72.06 -31.0 65.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.733 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -66.99 -37.73 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 mtpt -60.44 -31.24 70.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -72.1 -36.27 69.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.12 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -87.36 -31.59 20.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 355' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -59.97 -33.21 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 61.16 112.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.69 109.79 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.18 111.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.6 tp -108.5 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -77.81 120.68 23.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mt -126.44 142.17 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 33.6 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.99 117.69 1.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -64.7 -40.26 95.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.0 -38.32 66.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.42 57.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.563 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.4 t80 -58.15 -41.36 83.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.305 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -55.93 -35.9 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -66.31 -60.98 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.059 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.454 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -60.27 -26.82 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -68.13 -33.31 74.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.115 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.44 -32.55 42.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' B' ' 344' ' ' LEU . 1.1 mt -75.96 -32.29 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.05 -40.28 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.94 -40.21 65.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.99 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD2' ' D' ' 337' ' ' ARG . 8.5 tp -72.42 -36.8 68.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.82 -37.13 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.61 -34.95 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 5.8 mmtp -61.14 -31.62 71.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.93 -37.24 87.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.13 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -115.63 31.64 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.4 -33.72 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.486 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.838 0.352 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 60.51 110.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -122.6 152.88 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.405 ' CE2' ' HD3' ' C' ' 331' ' ' LYS . 7.6 m-85 -106.59 146.49 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' C' ' 338' ' ' PHE . 65.0 tp -148.46 100.73 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -77.64 110.23 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' D' ' 330' ' ' LEU . 25.0 mm -95.1 117.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -81.92 79.41 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 155.93 138.98 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -34.34 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.29 -46.12 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD22 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -57.71 -48.66 78.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.16 -45.36 94.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -33.23 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.361 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttp -66.45 -60.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.048 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.2 m-85 -61.08 -29.61 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.888 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -71.24 -34.98 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.189 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.54 -29.85 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.25 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.573 HD11 ' HG ' ' A' ' 344' ' ' LEU . 3.8 tp -76.39 -29.82 57.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -77.52 -42.22 36.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.15 -28.71 57.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.763 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.93 -28.0 35.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.53 HD12 ' O ' ' D' ' 344' ' ' LEU . 10.0 mt -78.49 -33.56 48.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -72.2 -29.18 63.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.18 -35.36 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.642 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 13.0 mttm -60.51 -37.01 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -39.11 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -34.18 75.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.39 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.8 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.489 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 5.4 m-85 -109.04 152.97 24.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -130.69 124.58 31.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.74 131.74 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HG3' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -81.97 99.12 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.666 HD12 HD21 ' B' ' 345' ' ' ASN . 28.3 mm -79.0 99.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.1 78.5 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.91 132.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.94 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.61 -57.1 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.6 ptp85 -56.4 -41.5 76.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' B' ' 330' ' ' LEU . 3.8 t80 -63.28 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.343 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.85 -39.83 78.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.745 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.3 mtp -63.69 -55.39 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.458 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -61.09 -31.35 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -40.24 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.278 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.51 -30.53 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.235 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.38 -28.77 52.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.6 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.62 -39.87 51.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -31.87 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.66 -30.56 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' B' ' 337' ' ' ARG . 19.1 mt -78.37 -28.44 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.77 -31.74 59.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.46 -31.74 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.604 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -70.37 -31.72 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.71 -33.83 76.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.02 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.76 -51.39 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.99 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 60.88 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -123.64 101.24 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.432 ' CE1' ' HG3' ' A' ' 331' ' ' LYS . 6.1 m-85 -60.26 125.49 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 338' ' ' PHE . 7.7 tt -129.91 107.51 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 139.38 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.34 119.93 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -92.94 48.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.1 130.54 2.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -68.07 -41.53 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.73 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -48.13 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.731 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.28 -46.93 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.417 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.06 -33.31 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttm -67.14 -59.18 3.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 3.9 m-85 -60.33 -28.35 68.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.72 -36.13 80.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.208 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.51 -32.49 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.281 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' C' ' 344' ' ' LEU . 74.1 mt -76.54 -28.97 56.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.666 HD21 HD12 ' A' ' 332' ' ' ILE . 12.8 m-20 -76.04 -40.52 53.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.01 -32.94 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 337' ' ' ARG . 10.8 mt -74.65 -34.13 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.54 -31.49 68.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.8 -35.57 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.82 -33.62 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.71 -36.81 85.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -75.0 -32.57 61.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.69 -69.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.84 120.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 3.1 m-85 -129.1 147.3 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' D' ' 331' ' ' LYS . 6.6 m-85 -105.43 136.58 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.8 tp -135.93 105.83 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -81.66 86.14 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.7 mt -85.39 141.7 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 135.3 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 109.87 135.9 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -73.61 -32.84 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.331 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.07 -42.93 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.723 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.99 -51.26 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.27 -43.33 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.26 -34.39 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 tpp -66.76 -61.03 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HD1' HD13 ' C' ' 332' ' ' ILE . 4.4 m-85 -60.45 -27.02 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.772 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -69.74 -36.04 75.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.253 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.83 -31.81 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.342 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' B' ' 344' ' ' LEU . 77.8 mt -75.34 -29.89 60.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.574 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -74.99 -42.42 57.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.93 -32.84 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.82 -30.76 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.65 -35.77 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.791 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -68.45 -31.48 70.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.28 -38.83 85.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -60.31 -33.54 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.79 -31.78 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.54 -32.69 62.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.22 -68.81 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.487 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -81.64 143.78 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 66.6 m-85 -136.46 118.92 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -78.07 112.26 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.3 tp -107.42 107.14 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' C' ' 329' ' ' PHE . 4.4 mtmt -91.17 104.64 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.485 HG23 ' HE ' ' D' ' 337' ' ' ARG . 3.7 mp -98.12 139.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -99.69 34.35 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.53 142.53 11.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -33.69 58.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.03 -48.09 12.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.485 ' HE ' HG23 ' D' ' 332' ' ' ILE . 14.6 ttp-105 -57.16 -48.28 79.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.707 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.634 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.1 t80 -64.59 -45.54 86.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.984 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.15 -30.72 64.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.356 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.521 ' HG2' HD12 ' D' ' 344' ' ' LEU . 5.3 ttm -67.71 -60.93 2.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.218 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 2.6 m-85 -61.29 -27.58 68.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -71.34 -40.61 70.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.231 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -77.2 -31.64 55.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.589 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -75.76 -39.77 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -31.08 60.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.737 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.81 -31.11 45.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.787 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -77.4 -30.09 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.52 -30.91 63.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.56 76.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.55 -35.38 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.15 -41.03 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.76 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -78.97 -41.48 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.53 -41.9 75.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.46 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' HG3' ' B' ' 333' ' ' ARG . 8.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.09 104.7 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.27 141.01 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 332' ' ' ILE . 3.3 tp -151.94 104.55 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 1.2 ttmp? -87.29 106.82 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -115.45 116.05 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' B' ' 327' ' ' TYR . 19.0 ptt85 -78.03 -30.77 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.29 114.24 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -60.11 -37.35 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -74.62 -52.95 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -56.28 -42.57 77.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.705 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.29 -45.53 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.01 -35.4 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.588 ' O ' HD12 ' A' ' 344' ' ' LEU . 32.5 mtm -67.05 -56.25 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.5 m-85 -65.3 -24.97 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -42.24 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.337 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 340' ' ' MET . 1.7 pp20? -78.4 -27.1 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 348' ' ' LEU . 4.0 mt -77.82 -30.68 51.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.665 ' ND2' HG23 ' B' ' 332' ' ' ILE . 64.1 t-20 -74.44 -43.69 55.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.98 -32.0 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.47 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.42 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.1 mp -65.39 -47.85 74.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 11.4 mttt -59.17 -31.18 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.38 -37.99 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.29 -31.55 60.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.9 -31.34 31.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.26 -46.41 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.783 0.325 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 333' ' ' ARG . 34.4 m-85 61.45 116.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -123.4 112.69 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 76.1 m-85 -60.23 129.03 39.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.0 tp -141.04 102.37 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.67 104.24 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.665 HG23 ' ND2' ' A' ' 345' ' ' ASN . 3.6 mp -93.15 139.62 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 327' ' ' TYR . 6.7 ttt-85 -96.74 66.62 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.61 133.04 2.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -44.7 50.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.9 -46.8 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -57.18 -42.78 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.58 -48.11 83.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.47 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.33 -34.2 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -66.48 -58.13 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.4 m-85 -59.95 -29.47 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.94 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.137 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.74 -33.26 58.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.328 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.714 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -71.03 -32.24 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.424 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.87 -47.45 59.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.84 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -71.33 -32.1 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.59 -31.17 66.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.38 -36.63 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.666 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.8 mttt -60.77 -31.75 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.85 -31.64 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.8 -36.29 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -31.21 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 -56.13 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.515 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 63.16 123.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -142.09 104.24 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -70.14 130.29 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 338' ' ' PHE . 11.9 tp -130.88 145.03 51.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -122.95 112.31 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.556 HG21 ' HB3' ' C' ' 337' ' ' ARG . 27.2 mm -101.03 139.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -98.78 30.95 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -147.56 132.35 4.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -67.83 -39.64 83.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.7 -45.32 53.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.595 ' CD ' HD13 ' D' ' 348' ' ' LEU . 3.0 mtm180 -57.56 -44.88 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.74 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' D' ' 330' ' ' LEU . 12.1 t80 -60.88 -48.22 82.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -33.61 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 mtp -66.51 -58.86 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.277 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.417 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.8 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -41.17 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.87 -24.18 55.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.26 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.597 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -78.21 -38.72 42.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 346' ' ' GLU . 30.2 p30 -77.84 -25.35 48.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 110.801 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.7 mt-10 -82.5 -33.85 28.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.632 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.49 -34.25 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.681 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.57 -31.83 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.94 -26.92 60.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.92 -40.97 65.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -30.15 71.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.74 -33.19 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.9 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -68.5 -54.31 17.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -68.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.71 137.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -152.79 138.21 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' C' ' 329' ' ' PHE . 50.7 m-85 -106.95 144.1 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.934 HD12 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -145.98 130.26 17.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -98.33 84.61 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.934 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -78.99 138.69 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.9 ttm105 -95.83 42.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.68 117.13 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -66.99 -45.87 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.12 -46.89 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -57.26 -43.31 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 330' ' ' LEU . 12.8 t80 -61.0 -48.45 81.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.3 -34.28 60.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtp -66.6 -58.38 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.279 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.6 m-85 -59.86 -30.09 68.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -67.48 -41.55 84.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.65 -24.32 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.249 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.793 HD21 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -76.06 -35.81 59.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.818 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -41.32 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.583 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.599 ' O ' HD12 ' D' ' 350' ' ' LEU . 46.0 tt0 -71.51 -32.17 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -74.29 -37.26 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' C' ' 337' ' ' ARG . 0.5 OUTLIER -70.54 -30.91 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.47 -29.36 67.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.599 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -66.15 -45.75 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -66.48 -30.49 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.06 -33.4 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.23 49.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.1 -31.16 25.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.83 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.501 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -133.31 115.08 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -85.28 150.33 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.52 130.05 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 93.59 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.8 mp -86.01 138.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -98.6 31.11 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.448 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -127.47 115.79 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.433 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -61.62 -47.96 83.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.13 -42.84 62.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.656 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.2 ttm180 -57.91 -48.09 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 11.2 t80 -59.51 -46.94 87.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.389 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.96 -34.05 62.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.52 -58.49 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.238 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 4.2 m-85 -59.25 -30.09 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -65.46 -39.82 92.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -73.06 -31.87 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.75 -46.06 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.313 179.336 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' B' ' 332' ' ' ILE . 30.9 t30 -62.88 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.708 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.8 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.1 tt0 -73.79 -31.51 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.89 61.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 344' ' ' LEU . 4.0 mm? -74.66 -38.31 62.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.5 -32.5 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -74.72 -37.91 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -30.81 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.16 -31.44 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.27 -38.94 63.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.43 -33.03 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.88 -55.8 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 8.6 m-85 61.17 112.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 18.4 m-85 -126.87 123.29 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.96 135.14 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.501 HD23 HD11 ' B' ' 332' ' ' ILE . 17.1 tp -135.43 136.72 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 122.71 39.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.715 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.9 mp -123.96 145.52 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -98.65 32.4 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.82 112.27 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -60.38 -30.83 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.59 -52.92 15.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -55.92 -40.85 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.58 -47.79 82.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.364 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -54.71 -33.83 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.5 -57.84 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.363 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.9 m-85 -61.42 -30.59 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.728 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -39.21 76.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.179 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -78.13 -31.1 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.916 HD11 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -75.55 -29.65 59.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.95 -42.52 57.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.55 -32.25 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.85 -31.03 51.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.656 HD13 ' HG3' ' A' ' 337' ' ' ARG . 4.5 mt -75.87 -30.07 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.88 -30.73 65.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -36.43 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -40.67 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.91 -40.36 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.01 43.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.526 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 10.9 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.821 0.344 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 7.1 m-85 -88.9 148.46 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 44.9 m-85 -144.44 98.13 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -60.21 146.58 43.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.5 tp -145.13 91.66 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 84.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.497 HG22 ' H ' ' C' ' 334' ' ' GLY . 4.3 mt -79.21 124.48 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 35.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.35 120.92 2.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.24 -37.76 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.827 ' HD2' HD13 ' D' ' 348' ' ' LEU . 1.2 tpp85 -59.76 -52.02 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -59.37 -45.02 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.58 -33.78 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.73 -60.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.232 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.0 m-85 -60.38 -27.55 67.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -36.9 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.097 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.6 -31.59 57.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.047 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.916 HD21 HD11 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -71.9 -39.68 69.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.365 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.509 ' OD1' HG23 ' D' ' 332' ' ' ILE . 1.3 t30 -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.68 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.487 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -68.12 -40.61 82.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.26 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' D' ' 337' ' ' ARG . 16.3 mt -69.14 -38.52 78.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.91 -30.7 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.487 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.2 mm? -68.16 -52.33 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -64.68 -30.81 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.46 -31.52 65.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.89 63.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.21 -42.74 12.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.61 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -141.78 142.87 33.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -152.91 102.69 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.29 137.73 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.477 HD23 HD11 ' C' ' 332' ' ' ILE . 33.6 tp -136.7 98.03 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.44 104.63 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.639 HG21 ' HG3' ' D' ' 337' ' ' ARG . 3.5 mp -100.53 136.89 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.7 ttt180 -98.57 31.85 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.423 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.01 126.56 2.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.52 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.31 -55.81 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.639 ' HG3' HG21 ' D' ' 332' ' ' ILE . 14.7 ptp180 -55.52 -46.36 77.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' D' ' 332' ' ' ILE . 4.2 t80 -59.45 -40.08 85.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.95 -41.93 79.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.704 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttm -61.6 -54.71 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.403 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.2 -36.32 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -39.37 92.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.206 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -78.32 -29.7 47.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.702 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -75.59 -30.94 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.542 179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -74.95 -42.57 57.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.9 -30.31 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -33.47 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' C' ' 337' ' ' ARG . 6.8 mt -78.94 -27.01 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.8 -28.78 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.692 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -39.72 51.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -30.66 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.88 -31.17 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.36 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -86.77 -37.21 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.4 35.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -128.23 153.0 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.436 ' CE1' ' CE ' ' B' ' 331' ' ' LYS . 10.0 m-85 -108.56 142.18 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.499 HD22 ' CE1' ' B' ' 338' ' ' PHE . 18.4 tp -153.86 136.42 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' B' ' 329' ' ' PHE . 12.5 mtpt -106.53 107.21 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.62 127.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.4 OUTLIER -97.45 37.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.04 126.03 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -34.07 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -73.83 -50.49 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.877 ' HG2' HD13 ' B' ' 348' ' ' LEU . 9.5 mtm105 -57.12 -40.77 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' B' ' 330' ' ' LEU . 10.8 t80 -61.77 -47.78 83.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.432 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -66.91 -58.1 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.253 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.38 -28.7 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -36.3 76.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.938 0.399 . . . . 0.0 110.244 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -80.92 -30.17 35.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.103 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.73 -30.84 56.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.479 HD21 HD12 ' B' ' 332' ' ' ILE . 16.9 m-20 -75.82 -42.01 51.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.697 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.28 -30.85 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.35 -29.92 42.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.965 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 344' ' ' LEU . 15.1 mt -77.71 -30.52 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.96 -30.51 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.33 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 8.1 mtpm? -60.72 -38.34 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.67 -32.51 70.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -83.15 -32.1 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.47 -38.73 40.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 7.2 m-85 60.33 96.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 5.5 m-85 -108.98 107.79 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 331' ' ' LYS . 83.3 m-85 -60.51 153.19 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 338' ' ' PHE . 21.4 tp -160.66 123.53 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.436 ' CE ' ' CE1' ' A' ' 329' ' ' PHE . 0.1 OUTLIER -88.75 93.34 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.769 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 HD21 ' A' ' 345' ' ' ASN . 23.6 mm -74.06 95.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.01 72.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.19 128.4 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.98 -56.65 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 -41.48 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.1 ttm180 -57.9 -46.1 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.741 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.499 ' CE1' HD22 ' A' ' 330' ' ' LEU . 13.9 t80 -59.41 -48.93 79.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.473 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.6 mmm -66.95 -59.04 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.302 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.7 m-85 -59.87 -29.2 68.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -38.08 84.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.69 -30.93 52.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.297 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -75.05 -33.15 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.512 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -72.13 -40.93 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.11 -36.44 69.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.5 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.877 HD13 ' HG2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -74.89 -30.92 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.46 -31.07 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.71 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -60.03 -35.65 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.2 -34.97 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.42 80.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.2 -35.24 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 31.06 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 5.0 m-85 -118.52 122.88 43.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.78 136.58 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.888 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.1 tp -129.05 103.97 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -83.93 94.28 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -99.98 127.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -86.18 56.35 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.01 110.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.54 -34.56 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.26 -54.45 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.591 ' HD3' HD12 ' D' ' 348' ' ' LEU . 1.7 mtm105 -55.8 -40.19 72.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.671 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.887 ' CE2' HD22 ' D' ' 330' ' ' LEU . 11.7 t80 -63.17 -47.66 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.94 -33.61 62.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.661 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.475 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.8 ttp -66.41 -58.01 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.3 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.695 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -67.58 -35.85 79.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.97 -29.99 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.259 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.5 mp -77.11 -33.05 56.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.593 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -75.69 -38.47 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.427 ' O ' HD12 ' C' ' 350' ' ' LEU . 20.9 mt-10 -76.11 -31.2 58.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.07 44.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.2 -29.6 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.91 -26.99 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.427 HD12 ' O ' ' C' ' 346' ' ' GLU . 3.7 mt -73.84 -38.36 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -29.73 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.27 -31.54 64.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.16 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.68 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.56 66.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 60.85 111.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 20.2 m-85 -121.71 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -106.28 147.34 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' C' ' 338' ' ' PHE . 1.4 pt? -151.83 138.67 18.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -76.19 110.22 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' D' ' 330' ' ' LEU . 24.7 mm -93.81 104.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -73.86 90.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.4 124.39 1.06 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -64.43 -36.72 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.63 -42.54 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.757 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.92 -51.02 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.888 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.6 t80 -61.05 -44.6 97.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.71 -32.68 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.378 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -67.0 -60.7 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.171 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.7 m-85 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -34.5 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -31.61 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.264 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 344' ' ' LEU . 96.1 mt -76.02 -29.92 58.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.518 ' ND2' HG23 ' C' ' 332' ' ' ILE . 51.1 t30 -76.31 -41.69 47.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -74.27 -30.96 62.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -78.43 -30.66 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.591 HD12 ' HD3' ' C' ' 337' ' ' ARG . 14.8 mt -77.55 -29.79 52.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.44 -31.81 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.38 -41.16 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.29 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.62 -30.93 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.8 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -82.99 -34.75 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.416 -1.214 . . . . 0.0 112.515 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -130.06 98.42 4.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.431 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 57.1 m-85 -60.96 135.02 57.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' B' ' 338' ' ' PHE . 35.2 tp -139.1 90.69 2.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -70.65 99.19 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.9 128.11 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -94.18 75.34 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.08 123.1 0.91 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -68.2 -45.79 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.52 -43.43 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' B' ' 348' ' ' LEU . 8.8 mmt-85 -58.57 -51.26 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 330' ' ' LEU . 5.6 t80 -58.07 -41.51 83.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -38.66 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.509 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.6 mtm -67.36 -59.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.991 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.51 ' HE1' HD13 ' B' ' 344' ' ' LEU . 7.7 m-85 -61.93 -20.9 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.171 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -75.45 -33.46 60.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.986 0.422 . . . . 0.0 109.998 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.22 -30.6 48.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.271 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.785 ' O ' HD23 ' A' ' 348' ' ' LEU . 3.6 mp -72.46 -36.16 68.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -71.11 -43.43 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.73 -31.22 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.18 -34.99 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.779 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -64.58 -29.66 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.51 -41.45 84.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.49 -30.06 68.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.6 -46.82 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.25 69.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.63 21.96 16.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.8 -34.38 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.54 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.78 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -132.19 102.35 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.56 132.16 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 338' ' ' PHE . 11.0 tp -131.75 100.61 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 41.7 mttt -66.85 83.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -79.4 103.05 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -79.86 64.93 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.52 112.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -60.37 -40.92 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.03 -50.43 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -56.1 -40.75 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 330' ' ' LEU . 12.7 t80 -61.19 -48.59 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.434 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.8 -34.69 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.2 -58.48 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.66 -30.0 70.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.1 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.5 -33.3 60.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.277 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.775 HD21 HD11 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -72.31 -39.1 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.439 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -39.07 90.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.02 -46.6 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.88 -26.24 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.647 HD22 ' HG3' ' A' ' 337' ' ' ARG . 9.1 tp -70.82 -41.59 71.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.867 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.28 -27.96 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 mt -77.14 -41.04 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -29.8 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.67 -30.05 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.1 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -70.97 -34.59 71.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.02 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 15.5 m-85 61.36 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.447 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 22.3 m-85 -127.14 114.33 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.27 140.43 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -149.09 126.15 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 87.09 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 3.7 mp -71.86 132.94 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 4.9 ttt180 -103.53 76.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.56 141.32 4.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -76.67 -45.94 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.61 -46.17 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.782 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -49.7 75.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.66 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.216 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -57.11 -32.3 66.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.505 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.607 ' O ' HD12 ' C' ' 344' ' ' LEU . 5.2 ttm -67.66 -58.75 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.54 ' HE2' HD22 ' D' ' 344' ' ' LEU . 2.1 m-85 -63.4 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.695 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.57 -31.94 69.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.42 -34.03 54.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.775 HD11 HD21 ' B' ' 344' ' ' LEU . 2.0 mp -72.8 -37.51 67.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -68.6 -38.92 81.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.401 ' O ' HD23 ' C' ' 350' ' ' LEU . 5.3 tt0 -70.2 -44.96 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -68.11 -28.09 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.913 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.4 tp -70.67 -37.89 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.744 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.05 -31.3 72.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.401 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -66.49 -40.32 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 0.1 OUTLIER -59.82 -32.51 70.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.41 -31.48 65.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.13 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -30.77 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 355' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -110.88 30.72 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 6.3 m-85 -82.68 110.14 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -93.73 109.76 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.33 151.79 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' D' ' 332' ' ' ILE . 13.5 tp -161.77 107.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.5 108.69 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' D' ' 330' ' ' LEU . 4.9 mt -112.35 142.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 9.7 ttt-85 -98.66 35.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.46 112.56 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -59.4 -51.75 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.72 -46.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.913 ' HG2' HD22 ' C' ' 348' ' ' LEU . 1.3 tpp180 -57.64 -48.96 78.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' C' ' 330' ' ' LEU . 8.4 t80 -61.59 -44.44 97.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.132 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.69 -34.19 64.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -65.76 -60.15 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.579 ' HE1' HD22 ' C' ' 344' ' ' LEU . 5.8 m-85 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.5 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.078 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.56 -32.13 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.36 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.48 -33.39 64.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.611 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' C' ' 332' ' ' ILE . 18.3 m-80 -72.68 -42.51 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 -32.29 66.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.76 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.83 -32.71 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.782 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.51 -31.05 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -72.23 -29.11 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -47.86 79.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.54 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -105.49 20.06 19.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.06 -37.96 9.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.821 0.343 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.484 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -146.31 108.52 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HE3' ' B' ' 331' ' ' LYS . 85.6 m-85 -62.8 152.7 35.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.876 HD12 ' CE1' ' B' ' 338' ' ' PHE . 6.7 tt -161.62 118.49 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' B' ' 329' ' ' PHE . 0.2 OUTLIER -85.48 123.85 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.63 107.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 5.3 ttt180 -82.01 59.63 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.73 132.39 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -73.85 -32.58 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.17 -52.06 11.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.31 -40.85 75.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.804 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.5 t80 -62.55 -47.97 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.381 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -33.21 62.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -66.74 -57.89 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.359 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.7 m-85 -62.4 -31.02 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -70.65 -35.63 72.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.227 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -80.67 -31.76 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.18 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.723 HD21 ' CD2' ' D' ' 344' ' ' LEU . 1.6 mt -77.27 -31.05 54.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.6 -40.4 49.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 350' ' ' LEU . 17.8 mt-10 -73.83 -32.82 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.638 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.76 -32.54 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.788 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.6 mt -73.35 -33.3 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.98 -30.4 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.774 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -65.88 -37.8 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -58.99 -38.28 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -44.21 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.19 71.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -70.91 -31.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.97 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.495 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 5.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 12.7 m-85 -88.07 152.6 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.8 m-85 -147.69 102.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 331' ' ' LYS . 90.0 m-85 -60.35 133.47 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.804 HD13 ' CE2' ' A' ' 338' ' ' PHE . 18.0 tp -134.44 112.24 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 329' ' ' PHE . 5.1 mtpt -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.739 HD11 HD23 ' B' ' 330' ' ' LEU . 26.9 mm -78.91 127.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -98.6 32.5 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.534 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.37 124.76 1.93 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -60.63 -46.89 88.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -43.22 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.788 ' CG ' HD13 ' A' ' 348' ' ' LEU . 26.8 mtm-85 -57.92 -44.96 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.876 ' CE1' HD12 ' A' ' 330' ' ' LEU . 12.6 t80 -59.85 -48.44 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.87 -32.88 61.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.38 -58.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.0 m-85 -61.82 -29.43 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -69.44 -35.57 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.224 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -31.94 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.256 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.737 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -76.55 -31.57 57.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -74.05 -40.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.636 ' O ' HD23 ' B' ' 350' ' ' LEU . 11.2 tt0 -72.29 -35.84 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.643 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -30.33 64.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.2 mm? -72.21 -38.75 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.81 -29.91 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.636 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -70.27 -48.64 55.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.512 ' HD2' HD13 ' B' ' 348' ' ' LEU . 18.0 ptpt -64.74 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.24 -31.42 69.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.94 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -71.37 -46.24 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.75 33.5 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.532 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.815 0.341 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 60.7 111.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.62 123.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.444 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 0.9 OUTLIER -79.66 106.74 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' D' ' 338' ' ' PHE . 20.8 tp -108.29 95.86 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -79.93 111.29 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.547 HG22 ' H ' ' C' ' 334' ' ' GLY . 28.2 mm -103.01 132.51 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 32.88 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.547 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -133.12 126.17 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -63.79 -46.24 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.3 -47.61 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.643 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.741 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.52 -45.43 93.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -55.44 -34.56 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtp -66.53 -58.52 5.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.9 m-85 -62.01 -28.7 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -69.63 -34.43 74.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.977 0.418 . . . . 0.0 110.242 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.23 -32.05 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.07 -30.81 61.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -75.21 -41.62 57.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.741 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 -31.18 64.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -33.06 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -74.18 -31.16 62.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.15 -30.06 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.58 -43.33 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -66.39 -30.63 71.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.73 -31.63 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.28 71.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -78.99 -42.3 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.36 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -99.61 151.79 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.57 91.32 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.11 134.61 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.534 HD23 HD11 ' D' ' 332' ' ' ILE . 7.3 tp -145.81 108.75 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 7.5 ttmm -100.67 129.64 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.534 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -130.17 129.93 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.07 -34.03 75.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -59.63 114.63 6.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.575 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.88 -35.91 77.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.512 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.6 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.6 t80 -58.5 -45.88 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.364 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.34 -32.3 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.524 ' SD ' HD22 ' C' ' 344' ' ' LEU . 16.9 ttm -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.95 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.512 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 7.7 m-85 -57.69 -27.54 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -66.17 -38.42 88.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -32.27 61.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.723 ' CD2' HD21 ' A' ' 344' ' ' LEU . 4.0 mm? -72.9 -42.56 63.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.322 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.47 -38.32 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.37 -32.13 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -29.72 47.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.8 OUTLIER -78.59 -31.02 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.22 -31.26 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.17 -32.01 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.27 -32.27 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.52 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -72.04 -32.52 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.22 -32.09 43.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 6.2 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.423 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 3.6 m-85 -134.2 152.38 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -104.78 135.02 46.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.891 HD13 ' CE1' ' B' ' 338' ' ' PHE . 21.0 tp -135.28 98.47 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' B' ' 329' ' ' PHE . 3.5 pttm -78.54 108.68 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -114.98 140.66 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 158.63 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.73 124.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.57 72.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.07 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.1 tpp180 -57.2 -47.15 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CD1' HD12 ' B' ' 330' ' ' LEU . 8.2 t80 -61.67 -44.34 97.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.252 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.68 -33.87 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 tpp -66.6 -61.14 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.074 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.784 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.4 m-85 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.37 -39.39 85.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.229 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.985 HD22 HD21 ' D' ' 344' ' ' LEU . 7.2 mt -67.48 -29.86 69.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.382 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -69.94 -51.79 29.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.619 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.92 -32.23 73.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.44 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 344' ' ' LEU . 2.8 mm? -68.22 -32.09 72.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.633 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -64.26 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.8 -49.35 73.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -59.17 -31.52 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.94 -39.42 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.17 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -93.46 -38.94 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 37.42 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 60.5 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -105.84 126.6 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 331' ' ' LYS . 8.5 m-85 -81.95 119.93 24.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.717 HD12 ' CD1' ' A' ' 338' ' ' PHE . 1.5 tt -105.18 93.25 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -66.43 84.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.538 ' CG1' HD22 ' B' ' 330' ' ' LEU . 4.5 mt -81.13 135.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 2.0 ttt180 -102.08 34.62 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.531 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.76 129.39 3.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -71.0 -39.89 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.81 -53.7 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -55.42 -40.85 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.891 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.6 t80 -61.66 -47.14 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.396 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.35 -34.83 61.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.16 -58.75 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.288 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.26 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.712 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -69.44 -33.81 73.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -80.17 -31.65 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.172 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.6 HD21 ' CG ' ' C' ' 344' ' ' LEU . 1.3 mt -75.23 -33.9 61.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.468 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -74.32 -41.27 61.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.05 -31.5 66.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.703 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.49 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 344' ' ' LEU . 12.3 mt -71.84 -40.27 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.93 -30.92 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -35.47 71.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.34 -35.22 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.86 -34.33 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.23 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -85.97 -33.97 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.58 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 8.2 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -103.66 126.2 50.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' C' ' 326' ' ' GLU . 35.6 m-85 -114.75 138.0 51.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 12.5 m-85 -104.54 125.32 50.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.616 HD23 HD11 ' C' ' 332' ' ' ILE . 17.4 tp -143.95 128.46 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -102.23 95.84 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.616 HD11 HD23 ' C' ' 330' ' ' LEU . 31.0 mm -71.44 135.47 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.8 OUTLIER -105.95 74.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.1 139.3 2.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -41.59 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.2 -48.02 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.7 ttm180 -56.85 -45.45 82.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.98 -46.99 88.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -33.42 62.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.59 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.75 -58.96 4.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.03 -29.54 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -37.51 78.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.989 0.423 . . . . 0.0 110.161 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.03 -31.61 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.19 -30.32 60.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.465 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.38 -43.21 57.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -30.59 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.38 -30.72 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.733 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.4 mt -76.93 -31.07 56.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.96 -29.59 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -35.87 77.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -66.15 -36.13 82.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -64.27 -34.22 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.35 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.21 31.2 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.13 -31.83 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.493 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 64.8 m-85 60.38 110.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -137.63 120.55 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HE2' ' C' ' 331' ' ' LYS . 8.9 m-85 -68.48 141.84 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -154.15 113.25 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.407 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 4.3 mtpm? -87.33 83.65 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -71.26 107.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -83.28 72.64 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.88 124.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -64.29 -46.05 85.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -43.44 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.652 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.32 -48.34 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.2 -46.79 87.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.516 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.72 -34.22 64.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.55 ' HE1' HD11 ' C' ' 348' ' ' LEU . 4.2 ttp -67.22 -58.09 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.267 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -63.74 -29.36 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -72.41 -36.24 68.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.092 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.41 -30.36 42.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.985 HD21 HD22 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -76.88 -39.03 52.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.45 179.439 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.75 -34.83 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -75.27 -31.43 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -34.81 60.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.8 mt -74.35 -32.59 62.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.19 -29.42 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -35.5 77.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -62.87 -40.21 96.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.65 70.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -77.47 -32.31 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.0 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 33.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -88.99 102.71 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -106.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -129.26 137.24 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.435 ' HE3' ' CG ' ' B' ' 327' ' ' TYR . 6.5 ttpt -78.09 124.29 27.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.574 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.5 mp -118.54 134.16 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 23.1 ptt85 -93.6 71.6 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.06 125.08 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.35 -34.8 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.86 -50.74 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -55.86 -44.0 77.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.02 -47.24 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.447 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.94 -33.51 62.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.69 -59.27 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.257 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.12 -29.82 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -35.72 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.168 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.59 -30.14 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.4 mp -76.46 -34.95 58.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.46 -38.48 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.91 -33.24 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.6 54.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.44 -30.85 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.99 -30.84 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.39 -36.03 81.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.53 -41.89 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.42 -31.72 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.38 -39.6 85.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.11 -41.68 25.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.523 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.427 ' CB ' ' CZ ' ' B' ' 328' ' ' PHE . 2.8 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CG ' ' HE3' ' A' ' 331' ' ' LYS . 8.9 m-85 -96.43 148.12 23.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' CB ' ' B' ' 326' ' ' GLU . 17.7 m-85 -151.6 117.17 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.47 113.66 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 341' ' ' PHE . 6.3 tp -106.51 103.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.64 128.67 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.419 HD11 HD23 ' B' ' 330' ' ' LEU . 2.3 mt -126.29 118.74 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 1.2 ttt180 -92.48 82.93 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.77 132.44 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -61.1 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.323 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -33.62 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.754 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -62.48 -56.46 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.448 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 330' ' ' LEU . 6.0 t80 -61.33 -42.62 98.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.07 -31.67 65.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.425 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.543 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -66.95 -61.64 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 8.5 m-85 -59.5 -27.67 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.97 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -33.83 74.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 110.034 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.56 -32.09 42.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.416 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.689 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -76.62 -31.58 57.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -75.11 -38.2 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.89 -35.11 72.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.77 -38.43 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.8 mm? -68.8 -29.95 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -74.12 -46.98 39.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.743 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.3 pp -72.33 -27.32 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.743 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -79.89 -31.17 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -31.15 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.59 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -65.23 -31.85 73.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.35 -49.99 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 60.3 109.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -132.11 108.48 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -61.53 152.75 29.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' D' ' 338' ' ' PHE . 6.2 tp -139.68 84.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.54 83.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.4 mt -73.86 152.06 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -117.82 82.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 157.27 144.64 3.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -74.38 -41.21 61.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.13 -40.72 62.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -51.11 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.402 ' HA ' HD13 ' C' ' 332' ' ' ILE . 9.5 t80 -59.03 -45.72 90.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.483 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -57.22 -32.88 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.401 ' O ' HD23 ' C' ' 344' ' ' LEU . 4.1 ttm -68.59 -58.96 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.27 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -64.53 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -76.45 -36.48 57.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -75.57 -33.36 60.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.95 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.805 ' O ' HD13 ' C' ' 348' ' ' LEU . 3.5 mm? -74.08 -44.33 54.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.209 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -65.49 -32.15 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -46.5 52.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.685 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.61 -24.72 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.805 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.5 mp -74.58 -40.47 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -68.15 -26.52 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -72.4 -41.07 66.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -68.59 -28.33 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.49 -31.42 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.21 52.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.18 -30.54 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.86 34.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.43 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.3 m-85 -86.77 152.89 22.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 40.0 m-85 -146.84 126.37 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -83.57 116.36 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -114.97 100.15 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -71.79 107.35 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.585 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.1 mt -109.23 121.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -95.43 75.76 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.01 119.82 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -60.41 -37.15 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -46.24 37.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NE ' HD23 ' C' ' 348' ' ' LEU . 8.3 ttm180 -58.0 -49.71 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' C' ' 330' ' ' LEU . 6.8 t80 -59.69 -42.99 94.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.336 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.72 -34.5 65.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.74 -61.24 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.112 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.585 ' HD1' HD13 ' D' ' 332' ' ' ILE . 5.6 m-85 -61.41 -26.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.98 -33.89 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.078 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -81.12 -31.42 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.781 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -75.59 -30.61 59.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -75.66 -43.22 48.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' HD23 ' D' ' 350' ' ' LEU . 14.9 tt0 -72.54 -31.31 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.51 -34.41 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.781 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.4 mm? -71.6 -31.9 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.81 -31.71 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.741 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.485 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.5 mm? -67.79 -34.56 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -39.25 93.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.72 -34.08 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -73.96 -31.44 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -124.27 77.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 68.3 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -121.21 109.48 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' B' ' 331' ' ' LYS . 95.2 m-85 -82.41 101.42 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' B' ' 338' ' ' PHE . 4.6 tp -96.18 108.13 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -70.82 83.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.412 HG23 ' HE ' ' A' ' 337' ' ' ARG . 3.5 mt -79.24 99.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' B' ' 327' ' ' TYR . 2.2 mpp_? -85.26 57.08 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -156.98 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -58.38 -46.83 85.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.55 -46.95 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.457 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.0 ttp180 -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.38 -42.21 95.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.269 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.3 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.95 -61.36 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.105 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 5.1 m-85 -62.11 -25.45 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -37.26 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.983 0.42 . . . . 0.0 109.996 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.9 -31.65 59.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.847 HD11 ' CD2' ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.95 -43.54 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.99 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.07 -32.7 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.39 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.865 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -76.96 -35.49 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.65 -29.24 64.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.8 -41.36 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.457 ' HB3' HD13 ' D' ' 350' ' ' LEU . 10.5 ptmt -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.45 -31.24 62.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.71 -36.31 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -31.27 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.61 -40.75 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.532 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.802 0.334 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' HG3' ' A' ' 333' ' ' ARG . 70.1 m-85 60.26 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.2 m-85 -121.01 95.77 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -65.34 150.93 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' B' ' 332' ' ' ILE . 14.6 tp -148.05 108.49 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 329' ' ' PHE . 4.2 ptmm? -98.38 128.64 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' B' ' 330' ' ' LEU . 3.7 mp -136.57 136.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.4 33.26 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.5 113.19 1.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.68 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -73.2 -52.26 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.865 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -56.07 -47.55 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -61.92 -45.01 95.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.203 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.8 -33.75 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -59.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.239 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.21 -29.74 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -37.16 84.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.939 0.399 . . . . 0.0 110.033 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -76.28 -31.66 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.818 ' O ' HD13 ' B' ' 348' ' ' LEU . 4.5 mp -75.03 -41.01 60.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.412 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.26 -32.96 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.469 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -71.91 -47.3 53.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -66.98 -27.38 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.818 HD13 ' O ' ' B' ' 344' ' ' LEU . 6.2 mp -72.07 -38.53 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.779 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -29.48 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.46 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.54 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.06 58.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -80.19 -31.53 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.5 -33.15 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.545 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 60.53 110.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -123.39 108.0 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -76.8 125.87 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.681 HD12 ' CE1' ' D' ' 338' ' ' PHE . 4.0 tt -113.15 139.6 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.477 ' N ' HD23 ' C' ' 330' ' ' LEU . 0.0 OUTLIER -99.72 114.73 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.715 HG21 ' N ' ' C' ' 338' ' ' PHE . 3.6 mp -95.16 113.3 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 51.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.52 144.86 7.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -69.8 -58.23 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.38 -39.82 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -59.63 -52.38 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.631 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.715 ' N ' HG21 ' C' ' 332' ' ' ILE . 7.6 t80 -61.72 -44.71 96.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.054 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.83 -31.62 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.365 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -61.22 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -59.27 -28.06 66.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -37.61 82.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.135 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -78.06 -30.13 49.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.787 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.6 -36.05 60.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -71.8 -38.29 70.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.438 ' O ' HD12 ' C' ' 350' ' ' LEU . 4.6 tt0 -73.26 -30.29 63.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.07 -39.88 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.01 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.847 HD22 ' NE ' ' D' ' 337' ' ' ARG . 4.6 pp -76.28 -25.87 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 349' ' ' GLU . . . . . 0.575 ' N ' HD12 ' C' ' 348' ' ' LEU . 4.9 tt0 -78.29 -29.72 48.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.438 HD12 ' O ' ' C' ' 346' ' ' GLU . 4.9 mt -71.31 -31.61 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -72.71 -31.46 65.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.44 -36.17 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.93 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -81.33 -31.14 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.16 38.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.07 151.66 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -139.17 155.01 48.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.03 124.68 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.961 HD23 HD11 ' D' ' 332' ' ' ILE . 12.7 tp -131.08 153.1 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.81 110.26 22.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.961 HD11 HD23 ' D' ' 330' ' ' LEU . 28.5 mm -109.93 95.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 104.82 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.97 133.08 2.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -74.63 -38.66 62.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.25 -45.18 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.847 ' NE ' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -58.59 -51.08 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.681 ' CE1' HD12 ' C' ' 330' ' ' LEU . 5.9 t80 -60.78 -42.41 97.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.73 -32.3 65.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.21 -62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 9.5 m-85 -59.25 -27.33 65.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.934 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -68.85 -35.87 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.003 0.43 . . . . 0.0 109.969 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -31.09 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.185 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 344' ' ' LEU . 98.0 mt -73.24 -31.42 64.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -73.74 -45.65 50.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.87 -30.15 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.11 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -36.51 68.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -67.22 -31.41 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 351' ' ' LYS . 2.5 mt -65.77 -37.69 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -64.21 -36.58 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -34.68 77.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.28 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -92.17 -31.72 15.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 -56.89 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.424 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -132.44 110.83 10.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -66.07 141.09 58.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.705 HD23 HD11 ' A' ' 332' ' ' ILE . 20.7 tp -139.51 98.64 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -84.47 100.89 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.705 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mp -99.76 153.32 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' B' ' 327' ' ' TYR . 6.7 ttt85 -113.18 123.22 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.91 144.14 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -29.94 60.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mp0 -76.75 -46.54 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.624 ' HD2' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.98 -52.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' B' ' 330' ' ' LEU . 4.5 t80 -62.38 -40.94 98.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.017 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.48 -32.9 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -61.67 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.055 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.527 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.9 m-85 -60.9 -26.99 67.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -69.86 -34.53 73.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.5 -32.74 42.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.194 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' D' ' 344' ' ' LEU . 6.6 mt -73.98 -30.76 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.495 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' B' ' 332' ' ' ILE . 59.2 t-20 -73.37 -44.6 58.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.579 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.58 -34.06 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 350' ' ' LEU . . . -72.32 -32.04 66.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -38.9 76.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -62.54 -31.37 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 347' ' ' ALA . 17.7 mt -64.9 -45.16 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -59.93 -32.35 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -35.8 76.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.09 -33.51 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.31 -37.68 60.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.85 -49.39 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.483 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 331' ' ' LYS . 6.5 m-85 63.27 127.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -135.82 127.43 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 331' ' ' LYS . 1.1 m-85 -81.63 145.3 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 338' ' ' PHE . 16.4 tp -139.94 102.13 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -82.55 98.63 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.68 HD11 HD23 ' B' ' 330' ' ' LEU . 3.6 mp -101.26 131.04 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -88.79 74.25 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.36 128.35 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -33.54 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.81 -50.81 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -56.09 -44.06 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' B' ' 342' ' ' ARG . 39.4 t80 -62.03 -47.86 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.283 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.26 -33.24 63.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.619 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttm -66.03 -57.91 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.272 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.36 -33.75 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -67.67 -39.37 84.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.059 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.2 -29.35 48.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.171 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.786 ' CD1' HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.39 -32.35 60.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.594 179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -73.77 -42.26 61.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.667 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -31.3 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.2 -36.76 61.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.624 HD12 ' HD2' ' A' ' 337' ' ' ARG . 12.2 mt -74.74 -24.85 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -79.35 -26.22 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.636 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -43.55 40.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.02 66.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.776 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.27 -33.45 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.27 -33.2 67.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.57 -59.32 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.508 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 60.89 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.2 m-85 -119.91 147.17 45.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 145.27 32.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' D' ' 338' ' ' PHE . 9.5 tp -149.18 106.47 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.27 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' C' ' 338' ' ' PHE . 33.7 mm -67.92 123.1 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 144.9 131.4 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -66.15 -42.91 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.63 -51.43 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -55.91 -44.9 78.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -64.17 -48.38 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.972 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -30.9 59.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.58 -60.39 2.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 1.7 m-30 -59.85 -30.29 68.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -43.26 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.36 -32.07 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.288 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' B' ' 344' ' ' LEU . 4.0 mt -71.51 -31.63 67.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.461 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.84 -47.44 62.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -69.16 -32.63 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.37 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -42.39 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.09 69.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -43.34 80.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 27.0 mttt -60.23 -40.92 91.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.99 -31.49 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.16 73.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -82.51 -37.55 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -54.96 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.71 111.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.94 135.25 47.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.96 138.95 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.895 HD13 ' CE1' ' C' ' 338' ' ' PHE . 21.3 tp -141.36 109.09 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -98.91 111.28 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.72 124.17 67.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -84.02 71.38 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.92 129.88 1.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -31.82 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -56.74 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.4 tpp180 -57.0 -37.59 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 8.5 t80 -66.61 -45.53 78.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.215 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -32.85 62.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 ttm -67.15 -61.68 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.98 -27.95 68.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' C' ' 330' ' ' LEU . 0.4 OUTLIER -68.95 -33.67 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.031 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -34.81 59.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 344' ' ' LEU . 76.1 mt -71.22 -36.8 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.422 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.75 -42.25 86.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.73 -45.19 75.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.582 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -29.1 68.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' C' ' 337' ' ' ARG . 13.1 tp -68.39 -38.42 81.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.73 -31.18 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.03 -42.59 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.49 -32.05 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -68.69 -31.39 70.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.94 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.64 -37.42 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -35.18 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 6.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.66 87.8 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.43 152.87 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.603 HD13 ' CE1' ' B' ' 338' ' ' PHE . 10.5 tp -156.25 119.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 118.77 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.38 123.3 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -95.59 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -35.55 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.42 -51.39 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.26 -42.14 76.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -62.4 -48.59 79.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.69 -32.93 60.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.699 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.73 -57.08 7.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.07 -31.69 72.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.631 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -68.43 -37.71 80.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.201 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.36 -31.26 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.224 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.751 HD21 ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -74.67 -31.2 61.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.76 -43.32 59.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.6 tt0 -71.92 -33.98 68.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.4 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.4 -32.15 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.707 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -67.96 -30.93 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -65.77 -44.85 84.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -59.68 -30.68 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.68 -39.18 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.94 72.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -81.23 -39.49 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.12 73.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 19.4 m-85 -95.57 135.02 37.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 3.4 m-85 -112.15 99.34 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -59.5 138.22 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -142.08 132.17 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -96.49 121.78 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.69 105.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 5.8 ttp85 -92.37 48.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.85 117.03 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.7 -40.02 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -52.8 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -56.44 -44.6 80.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.808 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.2 t80 -62.2 -44.59 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.272 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -55.1 -34.17 63.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' B' ' 344' ' ' LEU . 4.0 ttp -66.66 -60.95 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.104 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.455 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.8 m-85 -61.54 -27.82 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.96 -33.63 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.121 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.65 -31.77 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.265 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 348' ' ' LEU . 2.4 mp -75.89 -31.86 59.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -74.37 -41.38 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.491 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.6 mm-40 -70.47 -33.97 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -70.98 -34.07 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.833 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.1 -40.06 78.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.32 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.491 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.7 OUTLIER -65.37 -42.46 92.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -59.29 -33.53 71.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -36.48 79.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.24 63.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -75.75 -32.46 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.67 -34.89 22.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.508 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -113.94 153.95 28.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -147.24 109.91 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' D' ' 331' ' ' LYS . 15.5 m-85 -70.67 153.3 42.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -156.24 100.71 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -83.07 120.59 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.511 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -117.95 137.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.424 ' CG ' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -98.68 31.3 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.28 118.67 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -61.2 -41.77 97.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.3 -44.39 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.618 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.0 ttm180 -57.82 -47.66 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.715 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.705 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.6 t80 -60.14 -46.34 89.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.74 -33.77 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 mtp -66.66 -57.65 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.382 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.416 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.3 m-85 -62.83 -30.45 71.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -70.75 -36.2 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.95 -34.28 44.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' B' ' 344' ' ' LEU . 0.8 OUTLIER -72.59 -29.92 63.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -72.22 -47.64 48.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.637 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.809 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -70.13 -39.24 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -65.47 -38.64 90.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.74 -30.61 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.75 -37.53 79.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.35 -35.77 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.08 -33.18 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.2 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -76.59 -44.77 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.63 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CZ ' ' CG ' ' C' ' 333' ' ' ARG . 13.2 m-85 -140.09 152.54 46.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -146.56 88.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.35 130.47 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.705 HD13 ' CE1' ' C' ' 338' ' ' PHE . 14.8 tp -131.02 129.66 42.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' C' ' 329' ' ' PHE . 21.2 mtmt -98.03 101.79 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -88.79 122.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -94.51 44.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.25 131.0 2.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -71.1 -34.07 70.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.96 -53.63 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.4 -38.99 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.625 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -63.55 -48.35 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.56 -33.41 60.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttm -66.36 -57.96 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.32 -31.67 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.194 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -80.65 -30.82 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.214 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.751 ' CD2' HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.86 -30.19 56.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.03 -41.25 43.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.45 -30.58 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.66 -30.76 46.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.7 mt -76.8 -31.76 57.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.02 -29.28 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.23 -35.62 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.8 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.42 -34.57 74.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.23 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -80.39 -38.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.77 87.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -146.32 103.64 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 130.83 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.707 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.2 tt -137.22 153.05 50.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.644 ' N ' HD23 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -129.03 115.66 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -98.45 153.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -114.91 41.17 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.97 138.46 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -32.61 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -45.85 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.09 -49.98 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.815 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.4 t80 -61.1 -43.72 98.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.214 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.59 -32.68 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.377 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.4 ttm -67.42 -61.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.3 m-85 -60.41 -26.61 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.759 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -69.96 -35.04 74.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -80.17 -31.87 38.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.306 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.753 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.17 -30.21 54.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.595 179.596 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.42 -38.72 55.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.699 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -74.3 -33.79 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.779 179.812 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.55 -31.53 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' B' ' 337' ' ' ARG . 9.3 mt -75.45 -30.79 60.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -71.48 -31.06 66.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.14 -38.23 85.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -60.19 -38.4 83.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.98 -31.76 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 54.9 m-85 -122.81 152.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -144.12 97.65 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 331' ' ' LYS . 3.6 m-85 -69.2 153.1 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 338' ' ' PHE . 10.4 tp -164.95 118.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -89.24 111.03 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.554 HD11 HD23 ' B' ' 330' ' ' LEU . 25.6 mm -92.67 125.08 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.67 31.32 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.47 121.62 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.17 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -39.88 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.25 -49.99 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.707 ' CE2' HD12 ' A' ' 330' ' ' LEU . 11.9 t80 -59.59 -47.35 85.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.325 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.59 -32.04 62.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.67 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.297 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' B' ' 344' ' ' LEU . 3.2 m-85 -61.52 -29.27 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -36.28 77.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.249 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.37 -32.28 43.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.263 179.387 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.925 HD22 HD11 ' C' ' 344' ' ' LEU . 7.2 mt -76.31 -29.3 57.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.74 -40.77 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.4 mt-10 -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.495 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.82 -32.64 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.7 mt -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.77 -31.13 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.5 mm? -70.9 -47.0 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD23 ' B' ' 348' ' ' LEU . 13.9 ptmm? -67.66 -31.49 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -31.57 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.64 -30.91 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -73.92 -33.47 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.89 84.73 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.976 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.76 147.96 52.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -141.93 88.08 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 26.8 m-85 -59.46 153.02 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' D' ' 338' ' ' PHE . 7.8 tt -151.99 119.85 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.423 ' HE3' ' CD2' ' D' ' 327' ' ' TYR . 15.8 tttp -83.64 137.61 33.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.564 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mp -133.24 127.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.8 ptp85 -98.53 30.63 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -142.61 123.28 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -48.83 23.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' D' ' 348' ' ' LEU . 15.3 mtm180 -56.17 -47.34 78.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.757 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.444 ' CE1' ' HD3' ' C' ' 342' ' ' ARG . 12.1 t80 -59.62 -45.8 90.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.413 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' C' ' 342' ' ' ARG . 3.6 mt-10 -56.44 -29.78 62.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -76.16 -49.46 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 1.9 m-85 -67.18 -30.67 70.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 342' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' C' ' 338' ' ' PHE . 17.1 ptt180 -73.97 -34.35 64.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -36.63 46.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.925 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -70.01 -29.72 66.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.42 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.82 -49.41 38.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.647 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.0 -30.28 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.6 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -70.84 -36.6 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.9 -31.3 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' B' ' 351' ' ' LYS . 3.8 mt -67.98 -44.65 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' C' ' 355' ' ' ALA . 14.8 mttm -60.26 -31.36 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.26 -32.11 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -31.7 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -118.24 31.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' C' C ' 355' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -175.21 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 47.2 m-85 -154.85 152.05 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -143.33 98.42 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.47 152.94 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.467 HD23 HD11 ' D' ' 332' ' ' ILE . 31.8 tp -138.99 149.72 45.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 19.6 mttt -118.17 83.88 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.467 HD11 HD23 ' D' ' 330' ' ' LEU . 3.1 mt -86.76 113.6 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.83 39.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.26 123.69 2.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.06 -48.54 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.15 -44.98 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -57.61 -43.54 84.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' C' ' 330' ' ' LEU . 13.9 t80 -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.31 -34.12 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.0 tpp -66.72 -58.4 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.312 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -62.36 -29.78 70.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -71.43 -36.01 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 110.149 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.06 -30.88 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.241 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.753 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.39 -30.1 57.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.565 179.601 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -76.51 -41.03 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.754 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.41 ' O ' HD12 ' D' ' 350' ' ' LEU . 16.4 tt0 -74.2 -30.25 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.96 43.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' C' ' 337' ' ' ARG . 4.7 mt -77.43 -27.38 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.5 56.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.41 HD12 ' O ' ' D' ' 346' ' ' GLU . 1.7 mt -71.78 -37.96 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.666 ' HD3' HD23 ' D' ' 348' ' ' LEU . 1.4 ptmm? -71.75 -31.1 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.3 -31.49 65.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.35 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.29 -32.12 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.71 -56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.446 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -155.46 113.52 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.75 137.17 47.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.0 tp -139.08 123.08 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -99.55 84.81 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.619 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -85.24 109.76 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -82.36 72.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.48 134.31 2.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.95 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.05 -47.89 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.775 ' CG ' HD13 ' B' ' 348' ' ' LEU . 14.1 mtm180 -56.78 -44.64 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -60.79 -47.43 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.389 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.98 -33.35 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD12 ' A' ' 344' ' ' LEU . 4.9 mtp -67.01 -58.69 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.433 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.0 m-85 -61.06 -28.9 69.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -36.25 75.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.266 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.09 -32.23 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.272 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.5 mp -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.535 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 345' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' B' ' 332' ' ' ILE . 6.8 t30 -74.14 -42.65 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.13 -32.0 68.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.15 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.3 mm? -72.59 -38.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.776 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.01 -32.38 72.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -37.78 74.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -64.67 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.13 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.12 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -82.9 -34.23 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.71 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.522 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.27 89.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -106.78 102.32 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -71.97 151.87 42.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.4 128.4 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -105.15 103.91 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.491 HG23 ' OD1' ' A' ' 345' ' ' ASN . 27.9 mm -86.14 140.99 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.52 33.58 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.09 118.62 1.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.421 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -61.36 -38.22 86.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.03 -49.91 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.54 -43.22 79.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.677 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.72 -48.56 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.291 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.11 -33.64 58.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.68 -58.2 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.327 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.53 -29.74 68.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.621 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -44.08 78.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.124 179.359 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.97 -24.35 52.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.258 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.615 ' O ' HD12 ' B' ' 348' ' ' LEU . 1.2 tp -78.54 -32.11 47.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.74 57.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' B' ' 350' ' ' LEU . 29.8 tt0 -73.43 -33.45 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -32.4 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -73.25 -32.46 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.15 -31.09 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.0 mm? -67.8 -46.51 71.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -60.86 -34.47 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.44 -31.61 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.4 44.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -88.22 -31.46 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.95 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.62 99.92 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.8 150.82 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.2 133.21 54.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.721 HD23 ' N ' ' C' ' 331' ' ' LYS . 5.3 tt -146.21 132.95 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.721 ' N ' HD23 ' C' ' 330' ' ' LEU . 18.7 tttt -106.78 119.75 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -103.78 144.33 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -107.05 37.43 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.75 134.49 6.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -70.47 -47.32 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.57 -44.81 56.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.758 ' HD3' HD13 ' D' ' 348' ' ' LEU . 26.3 ttp180 -57.95 -50.0 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -62.71 -46.44 88.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.989 179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.28 -30.88 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.451 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.39 -59.58 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 1.5 m-85 -61.97 -28.96 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.71 179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -71.21 -37.87 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.54 -32.75 54.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.398 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.664 ' O ' HD12 ' C' ' 348' ' ' LEU . 60.8 mt -75.04 -29.35 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.592 179.585 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.633 ' OD1' HG23 ' D' ' 332' ' ' ILE . 12.4 t30 -74.48 -42.1 59.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.27 -31.94 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.54 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.664 HD12 ' O ' ' C' ' 344' ' ' LEU . 3.9 mt -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -30.16 68.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -37.48 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -31.41 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -33.41 71.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.09 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.96 -32.38 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.29 -69.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.498 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.5 mp0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.91 152.6 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 33.7 m-85 -144.73 127.04 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.42 121.89 37.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' C' ' 338' ' ' PHE . 12.8 tp -118.5 151.53 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -130.66 83.91 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.633 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -78.01 131.54 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -99.13 31.6 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -138.68 132.01 5.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -76.21 -40.56 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.65 -55.6 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.543 ' HG3' HG21 ' D' ' 332' ' ' ILE . 18.4 ptp180 -55.55 -46.7 77.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.496 ' CE1' HD12 ' C' ' 330' ' ' LEU . 4.3 t80 -59.37 -40.1 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -40.87 77.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.8 mtm -63.13 -55.15 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.379 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -59.22 -32.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.31 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.261 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -31.3 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.814 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -74.18 -32.89 63.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 179.542 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -71.06 -43.2 68.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.71 -31.96 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.678 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.992 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.847 HD23 ' HE3' ' D' ' 351' ' ' LYS . 3.0 mt -77.73 -30.19 51.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.03 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.48 -36.9 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.847 ' HE3' HD23 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -76.38 -28.31 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.847 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.39 -30.41 53.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.78 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -69.96 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.545 179.972 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.1 m-85 -117.47 95.71 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -60.05 151.52 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -166.18 129.45 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.418 ' C ' HD12 ' A' ' 332' ' ' ILE . 1.6 mptt -97.68 152.98 18.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.7 mp -142.76 132.9 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -98.62 33.02 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.84 124.86 3.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.38 -47.27 14.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 332' ' ' ILE . 30.5 ttm180 -58.05 -50.56 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.3 -43.99 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.9 -31.29 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.452 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -59.68 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.322 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.482 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.6 m-85 -63.78 -26.97 68.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.665 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -37.71 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -78.49 -33.25 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.903 HD11 HD23 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -75.62 -30.64 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.441 179.53 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.3 -31.93 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.662 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.04 -36.44 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -68.44 -39.99 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.54 -30.67 70.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.84 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -65.93 -31.49 72.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -32.67 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.45 61.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -34.85 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 -36.24 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 62.51 147.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -154.87 108.4 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 20.1 m-85 -82.65 151.4 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -156.19 151.77 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -120.47 108.97 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.49 101.03 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.47 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.67 127.29 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 30.7 ttt85 -71.01 -36.1 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.26 -46.71 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -57.23 -42.6 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.9 t80 -60.69 -48.27 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.91 -34.39 59.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -58.76 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.282 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 5.1 m-85 -59.08 -30.1 67.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HD3' ' CE2' ' B' ' 338' ' ' PHE . 5.1 tpt85 -66.56 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.19 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.42 -30.04 47.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.026 179.163 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.57 HD23 HD21 ' C' ' 344' ' ' LEU . 0.1 OUTLIER -74.35 -39.34 62.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.518 179.529 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.29 -38.32 78.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.32 -38.16 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.81 64.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' B' ' 344' ' ' LEU . 12.1 mt -73.82 -32.48 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -68.6 -31.79 71.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.3 -34.24 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -65.26 -35.87 82.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -35.27 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.8 -31.2 66.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.64 -41.44 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.23 -61.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.828 0.346 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' D' ' 333' ' ' ARG . 20.5 m-85 -96.11 151.61 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.61 105.46 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' D' ' 331' ' ' LYS . 29.6 m-85 -69.95 122.48 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' D' ' 338' ' ' PHE . 9.0 tp -122.68 108.17 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 84.13 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.63 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.7 mp -74.0 135.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.54 33.68 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.443 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.34 125.74 3.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -65.19 -47.26 77.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.16 -43.78 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.661 ' CG ' HD13 ' D' ' 348' ' ' LEU . 10.2 mtm180 -57.76 -46.82 83.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.4 t80 -59.96 -47.71 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.423 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.22 -32.88 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.427 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.3 ttm -66.95 -58.09 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.374 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.97 -30.45 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -35.65 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.235 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -80.39 -31.97 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.191 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.721 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -76.66 -31.82 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.39 179.506 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -74.27 -40.78 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.55 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.476 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 tp10 -72.37 -36.62 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.571 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.16 65.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.838 HD13 ' HG3' ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.23 -38.03 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.62 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -30.55 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.476 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.62 -38.33 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -33.14 71.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.88 -42.73 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.22 66.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.1 -31.49 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.63 32.82 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 60.59 111.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 21.5 m-85 -127.25 114.67 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -72.76 142.17 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 14.0 tp -144.32 102.2 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.416 ' HG3' ' CZ ' ' C' ' 329' ' ' PHE . 24.9 tttt -78.1 83.95 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.542 HD13 ' HD2' ' D' ' 341' ' ' PHE . 4.4 mt -79.91 120.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' C' ' 327' ' ' TYR . 7.5 ptt180 -96.38 74.67 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.5 134.27 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -50.59 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 -40.88 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.838 ' HG3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.38 -49.55 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.7 -46.88 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.373 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -55.55 -32.55 63.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.437 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.3 ttp -67.19 -59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.247 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.542 ' HD2' HD13 ' D' ' 332' ' ' ILE . 3.7 m-85 -60.61 -29.14 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -34.52 75.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 0.0 110.253 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -80.68 -30.86 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.301 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.903 HD23 HD11 ' A' ' 344' ' ' LEU . 2.9 mp -77.73 -31.96 52.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.597 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -76.59 -38.14 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.99 -31.24 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.58 -32.15 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.993 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.661 HD13 ' CG ' ' C' ' 337' ' ' ARG . 6.9 mt -75.74 -31.88 59.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -71.71 -30.06 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -36.55 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -68.53 -31.53 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.52 -31.67 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.93 -31.37 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.1 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.505 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' B' ' 333' ' ' ARG . 19.3 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.91 113.93 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HG3' ' B' ' 331' ' ' LYS . 63.7 m-85 -74.42 144.4 44.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.651 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.5 tp -136.23 119.54 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.99 102.26 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.58 HD12 ' HE1' ' A' ' 341' ' ' PHE . 28.0 mm -89.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 36.73 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.82 144.98 12.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -65.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.82 -36.46 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.506 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -60.51 -53.67 54.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 179.703 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' HD13 ' B' ' 330' ' ' LEU . 8.0 t80 -62.61 -45.67 91.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.867 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -56.8 -30.86 64.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 340' ' ' MET . . . . . 0.53 ' HE3' ' HE2' ' A' ' 341' ' ' PHE . 3.0 tmm? -67.38 -61.2 2.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.421 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' A' ' 332' ' ' ILE . 2.7 m-85 -60.73 -27.78 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -37.78 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -78.23 -31.54 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.34 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.64 -32.84 58.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.482 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.23 -39.68 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.676 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.98 -31.74 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -74.96 -31.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -74.02 -37.69 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.773 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.69 -31.21 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.92 -35.47 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -60.68 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.88 -33.49 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.71 -31.43 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -76.39 -31.66 58.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.13 33.67 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 61.64 153.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.27 94.74 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.35 152.57 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.512 HD23 HD11 ' B' ' 332' ' ' ILE . 13.6 tp -156.37 115.52 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 329' ' ' PHE . 8.7 ttmt -93.67 102.98 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.512 HD11 HD23 ' B' ' 330' ' ' LEU . 3.7 mp -100.59 140.4 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' A' ' 327' ' ' TYR . 45.5 mtp180 -105.94 72.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -173.62 134.56 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -75.93 -38.56 57.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.06 -47.29 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.757 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -48.56 78.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.707 179.85 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.651 ' CE1' HD13 ' A' ' 330' ' ' LEU . 9.3 t80 -61.01 -45.65 93.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.502 179.658 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.62 -58.85 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.245 179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.34 -29.87 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.675 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -70.54 -37.38 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.304 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.07 -31.17 44.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.799 ' O ' HD23 ' B' ' 348' ' ' LEU . 87.8 mt -76.77 -29.64 56.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -76.15 -40.05 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.95 -30.99 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.15 -30.65 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.0 mm? -75.11 -36.51 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.14 -30.57 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -76.86 -32.03 57.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.94 -31.67 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.74 -31.41 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.28 70.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.0 -32.25 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.64 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.976 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 8.8 pt-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -84.29 153.04 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 51.2 m-85 -130.34 148.57 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -112.32 152.75 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.592 HD13 ' CE2' ' D' ' 338' ' ' PHE . 6.3 tp -163.33 147.4 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.409 ' HD3' ' CD2' ' D' ' 327' ' ' TYR . 22.1 ttmt -114.83 128.62 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -115.56 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.3 ptm180 -62.9 -30.55 71.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.07 132.87 11.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -71.53 -46.85 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.67 -38.66 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.768 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.87 -48.65 80.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.6 t80 -58.85 -47.13 85.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -33.51 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.476 ' O ' HD12 ' C' ' 344' ' ' LEU . 30.4 ttm -66.62 -59.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.2 m-85 -60.3 -28.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.28 -34.29 75.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.251 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -81.06 -31.61 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.286 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.66 HD23 HD21 ' B' ' 344' ' ' LEU . 3.0 mp -77.43 -30.87 53.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -77.57 -39.5 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.67 -28.18 55.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.19 -29.33 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.539 HD13 ' CG ' ' D' ' 337' ' ' ARG . 14.0 mt -77.32 -36.97 53.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.79 -28.18 61.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -32.34 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -66.53 -31.72 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.46 -34.45 75.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -67.48 -33.15 74.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.17 -68.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD2' ' HD3' ' C' ' 331' ' ' LYS . 76.8 m-85 61.04 112.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.442 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 3.4 m-85 -121.71 91.96 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 150.03 48.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.5 tp -168.1 134.61 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 131.66 54.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.481 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -108.07 142.38 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 31.71 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.18 118.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -60.7 -37.38 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -73.32 -46.37 49.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -46.89 81.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.592 ' CE2' HD13 ' C' ' 330' ' ' LEU . 10.7 t80 -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.63 -34.25 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.615 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -59.81 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.446 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.8 m-85 -60.98 -27.69 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -69.55 -36.55 76.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.189 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.17 -31.57 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.239 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.653 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -76.6 -29.04 56.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.479 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -76.39 -41.72 46.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.42 ' O ' HD12 ' D' ' 350' ' ' LEU . 15.0 mt-10 -74.59 -32.1 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.68 49.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.99 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' C' ' 337' ' ' ARG . 6.1 mt -77.11 -31.31 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.5 -29.54 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.42 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.5 mt -75.23 -38.93 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.668 ' HD2' HD23 ' D' ' 348' ' ' LEU . 9.7 ptpt -71.14 -30.51 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.86 -30.97 66.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.72 -31.24 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.448 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.44 -30.91 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' D' D ' 355' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -98.1 36.64 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 23.8 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -155.46 95.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 61.4 m-85 -63.82 146.53 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.88 126.53 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 138.35 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.81 118.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -79.56 70.6 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.87 112.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -39.24 85.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.08 -44.26 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' B' ' 348' ' ' LEU . 9.1 mtm180 -57.51 -44.11 84.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.728 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.641 ' CE2' HD22 ' B' ' 330' ' ' LEU . 12.9 t80 -60.39 -49.03 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.17 -33.29 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -66.59 -58.0 6.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.322 179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.97 -31.38 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 4.2 tpt85 -71.6 -38.41 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.163 179.487 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -79.83 -29.5 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.227 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.789 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -77.57 -30.5 52.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.567 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -77.45 -40.47 43.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.36 -29.75 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.2 -31.06 38.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.783 HD13 ' NE ' ' B' ' 337' ' ' ARG . 5.8 mt -77.8 -30.03 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.688 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.37 -27.88 61.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -42.84 70.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.589 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 1.6 ptpp? -65.79 -30.24 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.67 -31.52 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -85.38 -39.33 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 78.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.797 0.332 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 60.29 108.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -114.47 100.02 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.39 127.06 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.641 HD22 ' CE2' ' A' ' 338' ' ' PHE . 27.2 tp -141.86 140.44 32.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 4.4 mptt -109.06 122.1 46.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.53 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -111.14 138.87 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 0.5 OUTLIER -98.54 31.3 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.461 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.63 114.02 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.494 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -60.21 -47.98 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -63.09 -40.56 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.783 ' NE ' HD13 ' A' ' 348' ' ' LEU . 4.0 mmp_? -57.81 -49.37 76.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.02 -44.5 78.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.28 -39.27 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 340' ' ' MET . . . . . 0.497 ' HE1' HD11 ' A' ' 348' ' ' LEU . 7.8 ttm -67.23 -59.47 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.052 179.292 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.9 m-85 -62.06 -18.96 62.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -36.21 59.45 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.223 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HG3' HD12 ' B' ' 344' ' ' LEU . 6.7 pt-20 -80.22 -28.68 38.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.766 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -78.33 -32.32 49.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.528 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -76.12 -39.63 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.35 -31.13 60.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.06 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 337' ' ' ARG . 2.6 mt -77.13 -30.52 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.769 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.66 -28.86 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.6 -40.55 69.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.481 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 1.5 ptpp? -66.56 -29.63 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.9 -32.42 72.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.87 -31.57 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.91 -30.91 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.53 -179.956 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' C' C ' 326' ' ' GLU . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 2.8 tp10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.795 0.331 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -118.62 151.19 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 9.6 m-85 -145.18 112.69 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.64 144.15 54.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' D' ' 338' ' ' PHE . 15.9 tp -139.59 113.38 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' D' ' 329' ' ' PHE . 8.4 mptt -77.18 90.99 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.31 104.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -85.31 76.71 10.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.69 136.82 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -74.91 -41.06 60.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.06 -46.98 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.454 ' CG ' HD13 ' D' ' 348' ' ' LEU . 21.7 mtm180 -57.03 -45.09 83.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.8 t80 -60.14 -47.07 87.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.451 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -34.23 62.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.54 -58.42 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.313 179.51 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 3.5 m-85 -60.55 -29.69 69.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -68.41 -36.18 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.255 179.49 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -80.35 -30.49 38.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.795 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -77.52 -30.01 52.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.601 179.588 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.18 -39.47 48.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.1 -29.63 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.03 -33.69 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -74.8 -32.47 62.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -72.1 -28.95 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.22 -42.31 65.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -67.28 -31.43 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -31.67 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -31.03 69.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.0 -33.49 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.77 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.514 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 60.45 100.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.406 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.8 m-85 -107.01 89.64 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' C' ' 331' ' ' LYS . 88.3 m-85 -60.37 152.27 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' C' ' 338' ' ' PHE . 24.0 tp -161.26 138.96 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.612 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.2 mp -107.5 143.21 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.96 96.88 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.54 128.47 2.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -60.26 -50.48 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.82 -33.19 75.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -62.23 -55.37 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.545 ' CE1' HD13 ' C' ' 330' ' ' LEU . 6.1 t80 -60.82 -42.4 97.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.083 179.472 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.29 -32.49 68.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.441 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 mtp -67.94 -59.61 3.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.344 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.7 m-85 -62.66 -25.8 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.726 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -72.1 -37.81 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.336 179.46 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.85 -29.96 40.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.305 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.789 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -78.62 -30.61 46.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -78.04 -39.49 41.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -30.07 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.632 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.59 -30.73 52.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' C' ' 337' ' ' ARG . 12.9 mt -76.22 -35.18 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.99 -30.28 65.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -38.19 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' D' ' 355' ' ' ALA . 14.0 ttmm -69.73 -31.18 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -32.08 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.93 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.26 -32.21 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' D' D ' 355' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -105.46 31.05 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.97 103.3 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.94 121.25 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 332' ' ' ILE . 13.4 tp -132.32 134.33 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -90.77 115.92 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.983 HD11 HD23 ' A' ' 330' ' ' LEU . 29.4 mm -107.62 131.77 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.5 95.65 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 154.27 128.61 1.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -64.63 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.12 -39.11 85.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.94 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.808 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.76 -44.46 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.53 -31.89 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.376 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.33 -60.01 2.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.261 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.3 m-85 -63.07 -28.55 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.143 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.81 -32.41 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.364 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 348' ' ' LEU . 86.3 mt -71.02 -31.59 68.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.534 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -71.94 -47.63 51.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.29 -31.46 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -75.09 -31.99 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.4 mm? -71.82 -34.91 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.65 -30.47 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -44.91 83.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -60.71 -35.22 75.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.74 -31.47 69.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.74 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.36 -32.4 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.16 -43.43 82.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.425 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 8.4 pt-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -107.53 152.81 23.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' B' ' 326' ' ' GLU . 15.2 m-85 -150.35 122.01 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -73.66 148.2 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.7 tp -145.36 111.05 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -85.95 83.92 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.5 127.22 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -100.25 78.31 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.48 3.17 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.28 -42.52 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.48 -43.75 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.3 OUTLIER -58.6 -50.87 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.72 179.83 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.64 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.142 179.428 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.73 -32.58 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.371 179.457 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.9 ttm -66.8 -61.25 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.123 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 6.1 m-85 -58.96 -28.1 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.523 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.56 80.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.037 179.315 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.24 -32.03 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' C' ' 344' ' ' LEU . 4.0 mm? -72.36 -44.31 62.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.516 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -65.96 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.79 -43.28 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.09 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 tp -77.79 -37.16 49.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.67 -26.8 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.54 72.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -72.94 -31.73 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -76.72 -31.13 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.49 -31.21 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.19 -31.37 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.59 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.542 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.809 0.337 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 60.91 111.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 66.5 m-85 -133.15 109.37 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' D' ' 331' ' ' LYS . 50.4 m-85 -69.39 152.72 44.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.436 HD23 HD11 ' C' ' 332' ' ' ILE . 15.3 tp -165.0 118.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 108.06 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.621 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -101.49 135.64 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.03 -30.56 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.496 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -71.8 130.62 17.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -75.14 -49.66 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.1 -46.09 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.816 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.6 tpt180 -57.97 -49.34 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.747 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 7.6 t80 -62.05 -44.15 97.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.151 179.443 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.52 -33.51 66.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.9 ttm -66.03 -60.12 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.608 ' HE1' HD22 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.41 -29.23 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 179.598 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -65.2 -37.38 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.127 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -77.18 -31.48 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.679 ' CG ' HD11 ' B' ' 344' ' ' LEU . 2.0 mp -73.86 -31.15 63.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' D' ' 332' ' ' ILE . 14.8 t30 -73.14 -44.0 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.717 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.45 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -73.8 -31.91 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -36.53 70.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.4 -29.35 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.62 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -43.52 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.36 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.53 -32.71 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -74.39 -41.14 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.47 -54.33 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 179.97 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.3 139.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 15.1 m-85 -153.03 109.23 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.99 152.47 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 330' ' ' LEU . 7.6 tp -162.59 138.18 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -109.35 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.65 101.69 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 66.19 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.15 115.77 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -60.21 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.343 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.18 -48.25 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 5.8 ttm180 -56.48 -44.17 80.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 12.1 t80 -61.45 -48.64 80.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -32.27 59.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttm -66.85 -57.68 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.384 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 1.8 m-85 -61.88 -31.73 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -32.4 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.363 179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.43 -32.58 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.399 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.608 HD22 ' HE1' ' C' ' 341' ' ' PHE . 4.5 mp -73.77 -38.7 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.613 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 345' ' ' ASN . . . . . 0.621 ' OD1' HG23 ' C' ' 332' ' ' ILE . 53.1 t30 -68.68 -37.49 79.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.493 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt0 -72.18 -43.95 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.816 HD22 ' HG2' ' C' ' 337' ' ' ARG . 6.8 tp -72.29 -36.75 69.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.38 -29.56 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.493 HD23 ' O ' ' D' ' 346' ' ' GLU . 4.2 mm? -69.12 -49.9 52.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.578 ' HD2' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -64.31 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -70.08 -31.49 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.2 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -91.08 -35.87 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.32 -60.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.53 101.95 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.93 129.47 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 116.2 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -89.04 106.91 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 341' ' ' PHE . 3.8 mp -102.47 131.67 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -96.56 94.79 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.65 134.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -74.66 -33.57 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.765 0.317 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -75.39 -54.6 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.848 ' CG ' HD13 ' B' ' 348' ' ' LEU . 18.8 mtm180 -55.04 -41.66 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.746 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.0 t80 -61.88 -47.07 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 339' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 342' ' ' ARG . 6.0 mm-40 -55.93 -30.75 62.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -72.92 -54.15 9.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.934 0.397 . . . . 0.0 110.27 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.545 ' HE1' HG21 ' A' ' 332' ' ' ILE . 1.6 m-85 -66.91 -28.52 68.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.216 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 342' ' ' ARG . . . . . 0.418 ' CG ' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -79.42 -32.62 42.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.969 0.414 . . . . 0.0 110.195 179.492 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -33.51 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.227 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -74.1 -32.3 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 179.4 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.04 -43.44 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.714 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.8 pt-20 -75.01 -23.23 58.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -85.51 -29.67 24.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.8 mm? -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 179.766 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -31.76 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.08 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 350' ' ' LEU . 3.6 pp -80.1 -29.94 39.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' N ' HD12 ' A' ' 350' ' ' LEU . 4.6 ttmm -78.52 -29.9 46.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.17 -31.06 60.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.42 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.41 -32.43 37.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -57.05 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.17 106.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -113.03 114.37 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -68.81 151.61 46.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HD11 ' B' ' 332' ' ' ILE . 9.0 tp -160.03 103.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -71.79 103.57 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.839 HD11 HD23 ' B' ' 330' ' ' LEU . 27.6 mm -88.12 115.5 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 78.18 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.43 141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -73.94 -56.54 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.03 -37.8 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -59.72 -51.92 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.36 -45.25 94.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.246 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -56.44 -31.84 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -67.01 -61.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.103 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' B' ' 344' ' ' LEU . 6.2 m-85 -59.29 -28.45 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -68.64 -34.85 76.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.229 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.56 -30.99 41.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' B' ' 348' ' ' LEU . 15.5 mt -75.23 -30.24 60.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.615 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -75.83 -43.13 47.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.666 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.51 -30.05 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -31.3 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.848 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -75.99 -31.22 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.902 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.67 -30.18 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.36 82.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 351' ' ' LYS . . . . . 0.507 ' HZ2' HD23 ' B' ' 348' ' ' LEU . 9.3 mttp -60.31 -38.66 84.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -35.87 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.83 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -84.92 -36.81 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.09 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.472 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 60.78 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -124.2 117.97 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 329' ' ' PHE . . . . . 0.43 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 87.3 m-85 -64.46 127.26 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.72 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -132.0 98.15 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -99.54 105.75 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.599 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -103.26 137.04 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 31.06 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.498 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -125.37 129.32 6.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -75.52 -42.48 52.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -73.93 -50.45 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -57.29 -40.37 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.728 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.33 -47.44 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.61 -34.62 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.697 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 tpp -66.17 -57.52 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.0 m-85 -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -37.01 84.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.221 179.452 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.36 -32.65 55.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.354 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 344' ' ' LEU . 66.1 mt -73.61 -29.32 62.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.589 179.605 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.29 -44.64 51.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -32.07 66.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.494 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -77.24 -30.21 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.411 HD12 ' HD2' ' D' ' 337' ' ' ARG . 14.6 mt -75.78 -31.18 59.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.92 -31.19 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.22 -41.65 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -31.54 72.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.94 -34.28 77.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.72 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -81.02 -41.95 21.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.56 36.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.537 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.6 147.7 26.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -134.1 95.88 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.79 137.01 56.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.529 HD23 HD11 ' D' ' 332' ' ' ILE . 14.3 tp -149.43 99.84 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 331' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 15.3 ttmt -87.59 85.89 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -73.27 149.67 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -110.6 38.5 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.9 141.1 10.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -74.77 -66.98 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.9 -37.7 77.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.2 OUTLIER -60.52 -53.46 57.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.826 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -61.91 -43.98 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.76 -31.99 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.32 179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.9 -60.17 2.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.287 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.47 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.2 m-85 -62.46 -28.89 70.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.716 179.599 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -71.71 -37.2 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.169 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.86 -31.76 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.256 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.813 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.4 mt -75.5 -30.05 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.587 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.89 -42.1 58.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.9 mm-40 -72.37 -32.72 66.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -75.57 -30.69 59.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.813 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.61 -34.09 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.46 -29.36 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -70.56 -44.97 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.595 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -65.88 -31.03 71.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.96 -31.45 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.68 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -30.12 24.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 355' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -111.11 36.45 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.513 179.991 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.332 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -139.2 89.29 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' B' ' 329' ' ' PHE . 0.1 OUTLIER -65.79 129.5 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.874 HD13 ' CE1' ' B' ' 338' ' ' PHE . 17.2 tp -126.96 124.38 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 83.67 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.9 mp -79.68 143.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -109.93 74.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.33 122.93 0.9 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.04 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.33 -49.49 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.1 -48.99 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 179.832 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.4 t80 -61.59 -43.49 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.185 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.71 -34.09 67.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -59.35 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.22 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.3 m-85 -63.41 -29.7 70.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.4 -33.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.072 179.335 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -81.54 -31.46 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 179.254 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.732 HD11 HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.21 -33.01 56.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 179.518 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -75.93 -40.38 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.438 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -72.03 -32.45 67.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.646 179.708 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.82 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 344' ' ' LEU . 12.3 mt -69.15 -39.77 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.666 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.61 -30.79 71.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -65.24 -40.57 94.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -59.95 -33.01 71.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -38.3 83.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.32 84.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -65.06 -32.27 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.81 -71.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.537 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.8 0.334 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 60.55 106.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 17.4 m-85 -116.77 123.63 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 329' ' ' PHE . 68.4 m-85 -77.82 134.46 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.825 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -139.07 115.81 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -90.74 103.24 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.825 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -103.11 99.43 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -71.4 79.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.26 135.11 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -74.5 -66.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -59.73 -37.35 78.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 tpp180 -59.31 -51.23 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.1 t80 -59.3 -46.72 87.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.257 179.587 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -55.19 -32.43 62.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.4 ttp -66.71 -60.85 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.187 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' B' ' 344' ' ' LEU . 7.0 m-85 -58.75 -27.48 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -67.9 -37.17 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.028 179.275 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.05 -32.64 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' C' ' 344' ' ' LEU . 32.7 mt -71.51 -31.18 66.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.504 179.639 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.08 -46.87 55.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -66.63 -31.3 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.34 -37.03 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -66.89 -38.42 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.737 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -30.39 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.71 -38.41 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.1 -36.65 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -59.82 -33.04 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.69 -33.06 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -80.25 -40.88 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.84 32.03 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -159.21 152.54 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 10.5 m-85 -141.58 98.71 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -60.21 116.61 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.579 HD12 ' CE2' ' D' ' 338' ' ' PHE . 4.0 tt -117.96 106.24 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' D' ' 327' ' ' TYR . 10.1 tttt -77.97 109.59 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.457 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mt -107.48 120.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 333' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 10.5 ttt-85 -100.37 36.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.457 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.36 114.83 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.471 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.21 -44.23 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.598 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.7 ttm180 -61.99 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.431 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.09 -45.59 92.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.36 -34.71 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.29 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.281 179.456 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' D' ' 341' ' ' PHE . 3.2 m-85 -61.33 -29.68 70.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.768 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -69.73 -36.89 76.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.971 0.415 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -78.13 -32.32 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.299 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' B' ' 344' ' ' LEU . 66.2 mt -76.06 -33.29 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.545 179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.26 -37.82 68.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.505 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -40.24 84.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -71.17 -26.37 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.858 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.3 mp -75.98 -45.46 34.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.87 -28.47 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -31.08 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 11.3 mttm -68.46 -36.41 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.88 -36.09 80.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.64 87.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.58 -39.37 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.39 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' HE2' ' C' ' 331' ' ' LYS . 45.7 m-85 -102.78 153.0 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -144.51 89.73 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.13 152.87 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.99 111.33 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -86.63 83.59 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -70.87 131.18 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -102.4 35.76 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 334' ' ' GLY . . . . . 0.48 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.36 125.9 3.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -60.63 -66.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.76 -38.66 82.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 45.2 ttp180 -60.3 -53.44 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' C' ' 330' ' ' LEU . 7.4 t80 -62.14 -43.79 98.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.034 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.57 -32.02 66.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.376 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD12 ' D' ' 344' ' ' LEU . 5.5 ttm -67.52 -60.43 2.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.189 179.404 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 2.7 m-85 -60.42 -27.16 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -69.67 -40.6 76.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.305 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -32.27 59.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 344' ' ' LEU . 1.5 mp -74.41 -31.6 62.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.472 179.519 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -71.56 -41.98 68.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.91 -30.1 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.01 -27.77 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.035 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.717 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -79.54 -31.26 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.0 -27.61 57.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.09 -38.63 61.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.498 ' HD2' HD23 ' D' ' 348' ' ' LEU . 19.7 ptpt -68.39 -30.73 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.93 -31.52 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.13 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -89.24 -34.52 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.45 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 13.5 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.859 0.362 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.53 138.66 50.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 329' ' ' PHE . . . . . 0.489 ' C ' HD23 ' A' ' 330' ' ' LEU . 23.3 m-85 -109.31 151.75 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.788 HD12 HD11 ' A' ' 332' ' ' ILE . 0.3 OUTLIER -153.54 139.63 18.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 331' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 6.1 tttt -106.16 91.55 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 0.788 HD11 HD12 ' A' ' 330' ' ' LEU . 30.3 mm -72.11 125.95 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 333' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' B' ' 327' ' ' TYR . 25.0 ttp85 -98.69 32.48 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.58 128.04 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.88 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -36.62 79.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' B' ' 348' ' ' LEU . 2.2 ttm180 -58.78 -49.37 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 338' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.0 t80 -58.56 -48.6 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 179.621 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.55 -32.85 59.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -66.84 -58.46 4.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.337 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -60.19 -30.48 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.94 -39.69 87.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.9 -31.81 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.233 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.796 HD21 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.05 -30.54 62.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 179.552 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -72.69 -44.31 61.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.58 -31.26 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.801 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.67 -29.12 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -38.04 86.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.519 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 0.5 OUTLIER -61.48 -33.48 73.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.89 -32.21 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.54 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.81 -30.96 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.03 -63.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.436 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 7.6 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.795 0.331 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 327' ' ' TYR . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 73.6 m-85 -139.95 152.83 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 326' ' ' GLU . 40.9 m-85 -145.46 150.82 37.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 17.5 m-85 -108.43 152.2 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 338' ' ' PHE . 17.0 tp -156.39 152.75 27.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 331' ' ' LYS . . . . . 0.584 ' C ' HD12 ' B' ' 332' ' ' ILE . 5.1 tmmm? -143.75 145.59 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.584 HD12 ' C ' ' B' ' 331' ' ' LYS . 3.4 mp -145.33 149.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -98.9 31.3 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.19 118.81 2.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.31 75.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -74.41 -46.8 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 337' ' ' ARG . . . . . 0.629 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.7 ttm180 -57.74 -45.81 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 330' ' ' LEU . 9.7 t80 -60.24 -45.96 91.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.311 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.26 -35.3 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttm -65.27 -59.53 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.244 179.413 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 6.7 m-85 -59.0 -30.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -66.03 -33.83 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.015 0.436 . . . . 0.0 110.148 179.4 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.1 -27.24 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.24 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.622 ' O ' HD12 ' B' ' 348' ' ' LEU . 3.5 mp -82.09 -38.05 25.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.74 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 49.0 p30 -79.85 -24.0 41.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.63 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 346' ' ' GLU . . . . . 0.469 ' O ' HD12 ' B' ' 350' ' ' LEU . 53.1 tt0 -82.97 -33.34 26.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.566 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.62 -32.64 47.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' O ' ' B' ' 344' ' ' LEU . 2.3 mt -77.58 -34.14 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.9 -30.11 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 350' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.5 mt -73.49 -39.52 64.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -67.38 -31.11 71.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.61 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -31.7 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.72 73.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.521 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.865 0.364 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -103.97 153.0 21.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.5 126.28 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -87.69 153.0 21.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -170.92 124.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.483 ' O ' HD13 ' C' ' 332' ' ' ILE . 40.4 mtpt -88.25 143.4 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.54 HD12 ' CE1' ' C' ' 341' ' ' PHE . 27.0 mm -126.38 114.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -92.73 86.28 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.9 140.82 3.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -72.08 -43.81 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.2 -43.91 60.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' C' ' 332' ' ' ILE . 19.7 ttp180 -58.7 -51.21 70.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.635 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 7.7 t80 -62.01 -43.98 97.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.15 179.394 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.38 -32.42 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -67.34 -59.81 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.263 179.432 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' C' ' 332' ' ' ILE . 2.0 m-85 -62.89 -27.97 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.44 -38.56 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -31.2 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.317 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD12 ' C' ' 348' ' ' LEU . 44.0 mt -77.19 -29.58 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.647 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.623 ' OD1' HG23 ' D' ' 332' ' ' ILE . 53.1 t30 -76.09 -38.66 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.723 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 346' ' ' GLU . . . . . 0.644 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -73.58 -34.97 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.54 -32.71 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.765 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -74.1 -30.32 62.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -70.03 -30.02 67.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 350' ' ' LEU . . . . . 0.644 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -66.83 -43.76 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 351' ' ' LYS . . . . . 0.59 ' HD3' HD23 ' C' ' 348' ' ' LEU . 19.9 ptmt -68.84 -31.16 69.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.97 -34.46 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.49 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -30.94 48.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.74 60.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 60.77 111.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 5.4 m-85 -132.46 109.14 9.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -62.45 151.7 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 1.094 HD23 HD11 ' D' ' 332' ' ' ILE . 13.8 tp -155.77 124.48 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -109.78 92.72 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 1.094 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -90.75 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 72.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.76 120.6 0.88 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -45.09 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.22 -45.99 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.623 ' HG3' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -56.64 -45.71 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.733 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.477 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 339' ' ' GLU . . . . . 0.401 ' HA ' ' HG2' ' D' ' 342' ' ' ARG . 6.9 mm-40 -55.6 -29.02 58.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.517 ' SD ' HD13 ' C' ' 344' ' ' LEU . 31.1 ttm -71.38 -57.0 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.089 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.0 m-85 -63.84 -32.18 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.23 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -74.34 -31.97 62.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.963 0.411 . . . . 0.0 110.094 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.92 -32.11 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.147 179.167 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.13 -34.61 59.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.356 179.452 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -72.8 -39.92 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' D' ' 350' ' ' LEU . 3.7 mm-40 -72.63 -37.28 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.519 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -73.85 -30.52 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.705 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -73.66 -32.85 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.688 179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.73 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 350' ' ' LEU . . . . . 0.583 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.7 OUTLIER -66.21 -42.34 88.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.26 -31.27 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.71 -38.68 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.14 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.97 -31.64 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.14 -32.7 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -126.55 153.07 45.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -128.39 142.85 50.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 3.7 tp -141.31 113.07 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -89.14 83.69 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -91.8 123.46 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -86.97 68.48 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.1 136.39 4.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -76.22 -47.05 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.71 -44.03 62.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 337' ' ' ARG . . . . . 0.718 ' HD3' HD13 ' B' ' 348' ' ' LEU . 17.7 ttp180 -58.39 -50.94 71.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.57 -45.52 92.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.964 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.77 -31.4 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttm -67.62 -59.93 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 341' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 332' ' ' ILE . 2.2 m-85 -61.41 -27.88 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.44 71.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.287 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.65 -32.91 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.339 179.463 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 348' ' ' LEU . 76.7 mt -75.31 -29.43 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.519 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -73.3 -41.2 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.672 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 346' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 350' ' ' LEU . 6.3 tt0 -70.42 -38.29 74.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 347' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -72.2 -31.96 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.0 mm? -71.52 -32.69 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.696 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.8 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 350' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -66.59 -37.39 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 351' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 10.5 mtpp -60.45 -35.78 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.39 -39.08 82.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.08 70.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.13 -52.47 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.34 37.35 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.509 179.965 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.823 0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 62.91 144.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -153.53 154.02 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -156.81 119.09 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 330' ' ' LEU . . . . . 0.529 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.4 pt? -115.25 142.03 47.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -99.22 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 332' ' ' ILE . . . . . 0.554 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.9 mp -93.82 130.99 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.89 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 334' ' ' GLY . . . . . 0.554 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -131.67 126.25 4.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.469 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -66.82 -41.84 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -71.85 -46.33 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -57.57 -42.87 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.73 -48.02 83.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.518 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.23 -33.68 58.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.74 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.267 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.3 -29.41 69.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.756 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -68.92 -35.06 76.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.414 . . . . 0.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.32 -32.01 38.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.323 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 344' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -77.66 -30.2 51.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.532 179.585 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -76.57 -37.85 55.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.16 -33.7 63.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.768 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.81 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 348' ' ' LEU . . . . . 0.718 HD13 ' HD3' ' A' ' 337' ' ' ARG . 3.4 mt -75.38 -31.33 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.94 -40.19 79.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -64.33 -40.16 95.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.46 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -77.47 -33.53 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.82 -58.08 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.517 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -133.26 111.1 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.26 124.7 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.32 152.41 25.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 330' ' ' LEU . . . . . 0.942 HD21 HD11 ' C' ' 332' ' ' ILE . 48.8 tp -134.05 145.25 49.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' D' ' 329' ' ' PHE . 18.2 tttt -128.28 103.76 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 332' ' ' ILE . . . . . 0.942 HD11 HD21 ' C' ' 330' ' ' LEU . 26.5 mm -97.25 127.4 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -98.82 31.57 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 334' ' ' GLY . . . . . 0.551 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.84 143.39 12.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -74.74 -46.44 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.04 -42.07 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 337' ' ' ARG . . . . . 0.683 ' HG3' HD13 ' D' ' 348' ' ' LEU . 6.2 ttm180 -57.9 -49.18 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 338' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 330' ' ' LEU . 11.0 t80 -59.28 -46.61 88.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.373 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.31 -33.12 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.3 ttp -66.73 -59.23 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 341' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' C' ' 332' ' ' ILE . 5.4 m-85 -59.51 -29.29 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.77 -35.91 81.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.199 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -32.42 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.219 179.291 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 344' ' ' LEU . . . . . 0.792 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.8 mp -74.55 -30.82 61.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.424 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 345' ' ' ASN . . . . . 0.764 ' OD1' HG23 ' D' ' 332' ' ' ILE . 9.4 t30 -73.4 -44.35 58.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.98 70.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.789 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.87 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 348' ' ' LEU . . . . . 0.792 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -75.65 -27.3 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.71 -23.04 53.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 179.711 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.07 -44.12 31.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -69.05 -27.98 66.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -30.97 65.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.17 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.28 -31.4 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.79 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -130.37 152.96 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -148.88 153.06 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 329' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' D' ' 329' ' ' PHE . 4.2 m-85 -124.69 151.22 45.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 330' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 338' ' ' PHE . 3.3 tp -153.32 114.09 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -82.28 95.8 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 332' ' ' ILE . . . . . 0.764 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.9 mt -102.18 112.5 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.72 75.68 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.11 128.58 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.424 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.11 -39.45 60.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -74.56 -47.05 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 337' ' ' ARG . . . . . 0.694 ' CG ' HD13 ' C' ' 348' ' ' LEU . 3.6 ttm180 -57.53 -43.92 84.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.64 -47.51 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.357 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -32.68 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.567 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 340' ' ' MET . . . . . 0.44 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.4 mmm -67.3 -59.37 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CD2' HD13 ' D' ' 332' ' ' ILE . 2.5 m-85 -62.58 -28.35 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -34.56 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.275 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -80.85 -32.2 35.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.228 179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.7 mp -77.2 -30.66 54.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.36 -38.88 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.18 -31.66 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -76.9 -32.79 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 348' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.05 -31.5 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.882 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -71.75 -29.77 64.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -40.34 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' D' D ' 351' ' ' LYS . . . . . 0.524 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 0.1 OUTLIER -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.16 -32.12 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.72 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.79 -38.19 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -150.31 115.08 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -112.74 111.65 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.3 152.87 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.582 HD21 ' ND2' ' B' ' 345' ' ' ASN . 8.4 tp -152.38 100.72 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 329' ' ' PHE . 9.5 mttp -66.28 112.08 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.449 HG21 ' HA ' ' A' ' 338' ' ' PHE . 4.2 mt -111.66 110.87 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -95.42 93.35 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.45 141.61 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.18 -38.46 63.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -48.25 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.821 ' HD3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttp-105 -57.51 -49.53 76.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.811 ' CE2' HD13 ' B' ' 330' ' ' LEU . 7.6 t80 -63.5 -44.12 95.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.009 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.61 -31.87 66.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.412 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.2 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.4 m-85 -62.41 -27.96 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 12.7 tpt85 -72.76 -38.13 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.229 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.98 -30.75 50.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.24 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.696 HD21 ' CG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.27 -31.73 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.521 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' B' ' 332' ' ' ILE . 60.6 t30 -73.65 -44.37 57.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 350' ' ' LEU . 9.2 tt0 -72.02 -31.78 66.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.672 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.12 -30.72 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.992 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -33.99 63.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.761 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.46 -33.29 72.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.7 mm? -65.76 -37.23 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.34 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.4 -34.27 77.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.43 -36.11 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -80.17 -33.35 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.46 -62.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 61.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -129.98 97.5 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.429 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 90.1 m-85 -60.05 136.48 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.811 HD13 ' CE2' ' A' ' 338' ' ' PHE . 12.7 tp -143.27 123.22 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 139.94 40.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.418 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.8 mp -136.37 129.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.26 60.25 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.59 104.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -29.63 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -62.76 -52.54 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.15 -38.52 83.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.017 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.98 -45.29 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.373 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.01 -40.53 76.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.088 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.434 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.3 ttm -65.87 -59.59 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.879 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' B' ' 337' ' ' ARG . 7.6 m-85 -59.58 -24.39 63.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.071 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -71.44 -34.87 70.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.24 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.07 -31.37 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.364 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.665 ' CG ' HD21 ' C' ' 344' ' ' LEU . 2.4 mp -74.87 -31.5 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.575 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' HD21 ' A' ' 330' ' ' LEU . 17.8 m-20 -74.86 -42.92 56.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 350' ' ' LEU . 11.2 mt-10 -74.38 -30.42 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.711 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.513 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -78.97 -29.68 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.821 HD13 ' HD3' ' A' ' 337' ' ' ARG . 4.0 mt -78.56 -30.67 46.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -76.42 -31.42 57.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.2 mt -72.37 -32.24 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.523 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 3.1 mtpm? -67.38 -31.33 71.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -33.24 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.04 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -30.9 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 351' ' ' LYS . . . -93.39 -42.18 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.831 0.348 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -90.75 138.62 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -115.72 90.85 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 130.02 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.5 tp -131.34 108.26 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 92.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' C' ' 341' ' ' PHE . 28.9 mm -73.55 117.93 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 7.7 ttp180 -92.18 97.97 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 137.93 144.94 4.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.19 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.14 -42.6 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.525 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.28 -51.91 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CA ' HG21 ' C' ' 332' ' ' ILE . 7.3 t80 -62.46 -43.94 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.986 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -32.43 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.2 tpp -67.05 -60.17 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.204 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' C' ' 332' ' ' ILE . 4.9 m-85 -59.77 -27.42 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.79 -35.82 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.259 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.35 -31.02 38.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.36 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.1 mt -78.25 -29.56 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -77.45 -38.35 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.724 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.15 -31.97 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -78.37 -33.37 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.762 HD13 ' CG ' ' D' ' 337' ' ' ARG . 4.0 mt -75.97 -27.83 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.722 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.12 -40.48 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.575 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.4 pp -74.5 -27.57 60.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.791 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.575 ' N ' HD12 ' C' ' 350' ' ' LEU . 5.3 ttmm -76.3 -30.53 57.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.09 68.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.07 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.7 -37.75 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.01 -59.33 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.414 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 3.1 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.9 m-85 -123.74 106.12 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 11.7 m-85 -98.46 152.87 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.63 118.83 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' D' ' 332' ' ' ILE . 25.3 tp -127.28 135.38 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.91 109.2 21.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.514 HG22 ' H ' ' D' ' 334' ' ' GLY . 26.1 mm -97.05 125.07 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -98.31 31.38 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.53 120.5 2.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.91 -46.09 90.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.08 -45.77 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.762 ' CG ' HD13 ' C' ' 348' ' ' LEU . 5.4 mtm180 -56.97 -45.81 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' C' ' 330' ' ' LEU . 11.8 t80 -60.36 -48.33 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.43 -33.56 59.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -66.48 -58.34 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.5 -30.34 69.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.4 79.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.23 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -28.23 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.298 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' A' ' 344' ' ' LEU . 1.1 mp -78.53 -32.95 48.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.639 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -76.31 -36.84 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.27 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.777 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -80.18 -35.01 37.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.525 HD13 ' CD ' ' C' ' 337' ' ' ARG . 7.4 mt -78.59 -26.8 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.71 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.44 -29.33 46.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.76 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.98 -37.99 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -72.64 -31.85 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.81 -31.33 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.1 69.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -75.35 -31.54 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.41 -61.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 2.0 tp10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.832 0.349 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 145.9 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 326' ' ' GLU . 61.7 m-85 -136.04 136.76 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' B' ' 331' ' ' LYS . 16.8 m-85 -100.58 150.06 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 332' ' ' ILE . 33.0 tp -158.43 116.28 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HD3' ' CD1' ' B' ' 327' ' ' TYR . 5.8 ttmm -107.12 84.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.768 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.8 mp -75.62 138.73 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -100.84 77.09 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.58 117.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' ARG . . . . . 0.408 ' HA ' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -59.89 -39.07 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.06 -44.11 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttm180 -58.0 -50.07 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' B' ' 328' ' ' PHE . 8.9 t80 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.275 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.28 -33.2 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.406 ' CE ' HD11 ' B' ' 348' ' ' LEU . 3.0 ttp -66.66 -59.04 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.263 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -61.34 -30.45 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.27 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.146 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.77 -31.27 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.798 ' O ' HD13 ' A' ' 348' ' ' LEU . 2.9 mp -76.47 -36.6 57.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.411 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -70.01 -37.29 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -70.7 -45.19 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.555 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -67.78 -29.31 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 344' ' ' LEU . 4.5 mp -69.29 -38.16 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.36 -31.11 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -48.06 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.87 -31.66 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.88 57.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.54 -31.84 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.22 -46.64 86.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.511 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.803 0.335 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 60.5 m-85 -83.35 153.05 24.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' A' ' 338' ' ' PHE . 79.1 m-85 -142.04 109.81 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -81.1 129.4 34.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -138.4 114.05 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 329' ' ' PHE . 30.8 mtpt -99.92 91.2 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.545 HG22 ' H ' ' B' ' 334' ' ' GLY . 4.7 mt -90.04 137.12 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.65 31.29 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.545 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.64 121.95 3.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.427 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.5 -35.72 73.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.06 -49.31 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.544 ' CG ' HD23 ' A' ' 348' ' ' LEU . 3.9 mtm180 -56.77 -46.93 81.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.744 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.577 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.3 t80 -59.44 -44.26 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.388 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.36 -36.2 63.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.0 ttm -66.05 -60.45 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.498 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.2 m-85 -59.66 -26.95 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.783 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -68.21 -37.8 81.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.157 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.93 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.276 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' C' ' 344' ' ' LEU . 14.4 mt -74.83 -29.36 61.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.768 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -74.8 -43.41 54.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.715 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.76 -32.83 65.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.78 -29.82 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 340' ' ' MET . 31.5 mt -79.06 -25.13 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.51 -35.0 35.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.549 ' C ' HD12 ' B' ' 350' ' ' LEU . 4.0 pp -78.23 -30.62 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.49 -28.65 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.04 -30.44 58.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.9 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.48 -40.58 80.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.01 -72.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.504 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 67.5 m-85 -129.74 122.84 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -120.49 110.53 16.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' D' ' 331' ' ' LYS . 6.3 m-85 -73.21 141.27 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' D' ' 338' ' ' PHE . 15.9 tp -135.37 100.08 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.425 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.5 OUTLIER -83.96 107.97 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -114.5 153.44 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.434 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 4.4 mtm180 -98.5 30.92 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.14 107.95 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.415 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -61.81 -44.16 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.69 -43.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.678 ' NE ' HD13 ' D' ' 348' ' ' LEU . 47.2 mmt-85 -56.85 -49.11 76.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.5 t80 -55.63 -44.05 76.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.18 -39.53 72.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.53 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.6 tpp -67.79 -59.45 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.006 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 5.3 m-85 -63.72 -16.67 61.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.388 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -81.75 -32.74 31.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.91 0.386 . . . . 0.0 110.227 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.02 -31.58 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.38 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 11.7 mt -77.6 -31.21 52.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -77.14 -37.44 53.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.39 -25.29 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.97 -30.34 31.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' D' ' 337' ' ' ARG . 7.7 mt -78.93 -33.54 45.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -29.27 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.726 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -30.5 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.744 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' B' ' 350' ' ' LEU . 20.0 mtpt -67.24 -33.72 75.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.68 -41.15 98.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.98 -31.36 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -42.85 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.64 58.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 60.69 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.5 m-85 -118.64 108.87 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 10.9 m-85 -75.7 111.74 11.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.87 HD23 HD11 ' D' ' 332' ' ' ILE . 15.8 tp -107.51 104.87 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.409 ' HE2' ' CD1' ' C' ' 327' ' ' TYR . 32.5 tttt -71.5 102.65 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.87 HD11 HD23 ' D' ' 330' ' ' LEU . 25.1 mm -86.11 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 10.5 ptm180 -132.49 78.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.25 127.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -60.49 -35.97 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -44.14 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.684 ' HG3' HD13 ' C' ' 348' ' ' LEU . 2.5 ttm180 -57.36 -48.02 80.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD13 ' C' ' 330' ' ' LEU . 11.4 t80 -59.87 -47.12 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.378 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.46 -32.62 62.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.3 ttm -67.06 -59.12 3.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CE1' HD12 ' D' ' 332' ' ' ILE . 3.7 m-85 -61.53 -29.94 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -34.8 74.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.137 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.71 -31.57 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.73 ' O ' HD12 ' D' ' 348' ' ' LEU . 81.0 mt -75.66 -30.45 59.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.538 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.47 -43.02 51.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.54 -30.16 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.51 -27.11 51.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.73 HD12 ' O ' ' D' ' 344' ' ' LEU . 3.0 mt -77.07 -38.08 53.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.97 -23.66 58.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.49 -34.5 58.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.555 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 14.7 ptpt -75.36 -30.79 60.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.48 -31.94 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.55 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.58 -32.1 70.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.61 -63.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.441 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 4.2 m-85 60.84 110.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 6.5 m-85 -137.25 105.27 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.428 ' CE2' ' HE3' ' B' ' 331' ' ' LYS . 78.8 m-85 -71.14 152.91 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' B' ' 338' ' ' PHE . 11.9 tp -155.64 110.71 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.448 ' CG ' ' CE2' ' B' ' 329' ' ' PHE . 3.8 mtmp? -71.64 83.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' B' ' 330' ' ' LEU . 3.9 mt -79.23 120.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttp-105 -92.65 129.65 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 117.37 142.29 7.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -36.22 56.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.8 -45.48 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HD3' HD13 ' B' ' 348' ' ' LEU . 19.1 ttp180 -58.33 -50.4 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -62.88 -44.17 96.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.119 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.6 -31.73 66.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.46 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.646 ' CE ' HD22 ' B' ' 344' ' ' LEU . 8.3 mtp -67.65 -59.25 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.315 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.7 m-85 -63.47 -28.05 69.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -74.32 -37.99 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.367 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.52 -32.51 48.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.446 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -28.37 48.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.584 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -77.18 -36.57 54.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.727 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.64 -36.36 60.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.716 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.54 56.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' B' ' 340' ' ' MET . 25.4 mt -77.23 -30.82 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.96 -30.44 63.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -37.09 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.547 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 2.5 ttmm -63.6 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.39 -33.04 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.56 62.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -73.73 -34.08 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.06 -31.28 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.868 0.366 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.1 106.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.8 m-85 -110.78 104.55 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 331' ' ' LYS . 57.0 m-85 -61.15 142.93 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.544 HD22 HG13 ' B' ' 332' ' ' ILE . 1.4 tt -141.84 109.76 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 329' ' ' PHE . 0.8 OUTLIER -79.08 83.97 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.544 HG13 HD22 ' B' ' 330' ' ' LEU . 4.5 mt -80.43 106.55 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 77.48 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.52 133.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.28 -38.94 65.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.06 -45.53 63.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -46.78 82.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.9 t80 -58.47 -45.87 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.94 -36.68 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.453 ' HE1' HD11 ' A' ' 348' ' ' LEU . 1.4 ttp -65.76 -59.87 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.156 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.7 m-85 -60.48 -27.58 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.94 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.134 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.46 -31.26 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.195 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.814 HD21 ' HG ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -75.91 -31.02 58.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.467 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.34 -42.02 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.79 -31.13 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.86 -31.15 59.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.045 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.4 mt -74.44 -35.26 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.1 -27.71 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.781 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -72.49 -43.21 63.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -65.98 -30.69 71.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.2 -32.17 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.01 -32.43 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.75 -31.52 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.85 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 18.6 m-85 -88.88 150.27 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -140.75 93.58 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.58 130.78 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' C' ' 332' ' ' ILE . 22.7 tp -132.99 132.09 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -110.3 120.26 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.545 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.7 mp -130.82 137.86 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -98.47 34.26 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.73 135.86 12.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -75.18 -67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.79 -39.12 83.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' D' ' 348' ' ' LEU . 20.1 ttp180 -59.63 -52.41 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.4 t80 -61.28 -45.4 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.104 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.87 -31.8 65.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.11 -59.62 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.466 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 2.0 m-85 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.766 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.29 -37.19 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.64 -31.36 41.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.814 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -77.42 -30.17 53.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.539 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -76.28 -39.3 54.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.747 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.1 mt-10 -72.16 -31.81 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -74.07 -36.5 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.751 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.6 mm? -70.96 -33.03 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.89 -30.84 70.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.747 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.6 mm? -68.96 -47.48 65.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.6 OUTLIER -62.65 -31.02 71.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.3 -33.26 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.38 -31.16 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -88.68 -34.0 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.6 -67.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.879 0.371 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -158.22 152.92 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 9.1 m-85 -140.08 92.05 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.53 149.49 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' D' ' 332' ' ' ILE . 6.8 tp -142.09 116.5 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -110.99 106.92 16.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.1 mt -120.61 150.53 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -104.23 36.85 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.97 127.9 6.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -75.21 -47.11 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.56 -38.58 74.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.8 OUTLIER -60.08 -52.58 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.236 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.6 -35.69 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -66.08 -60.11 3.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.177 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.6 -26.81 65.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -66.82 -36.68 82.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.181 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.03 -34.19 57.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.651 ' O ' HD12 ' D' ' 348' ' ' LEU . 53.4 mt -73.83 -29.43 62.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.559 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -73.52 -42.58 61.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -72.13 -33.73 68.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -76.48 -30.4 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.015 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' C' ' 337' ' ' ARG . 4.2 mt -76.24 -30.51 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -73.1 -30.06 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.77 -35.78 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.03 -35.18 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -81.28 -32.58 33.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -87.44 -31.93 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.534 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.774 0.321 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CD2' ' HE2' ' B' ' 331' ' ' LYS . 84.4 m-85 -89.58 153.25 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -146.01 92.03 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.41 141.07 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 332' ' ' ILE . 16.5 tp -159.67 123.37 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -86.83 121.44 29.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 330' ' ' LEU . 25.2 mm -105.13 142.33 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.21 101.56 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 151.21 122.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -58.94 -44.06 91.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.59 -47.03 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.693 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.18 -45.24 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.864 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.53 64.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.379 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttm -67.08 -61.04 2.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 344' ' ' LEU . 5.2 m-85 -59.63 -27.74 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -38.72 79.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.223 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.18 -32.27 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.213 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' D' ' 344' ' ' LEU . 8.2 mt -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.497 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.94 -43.78 52.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.85 -31.41 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.454 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -77.29 -31.11 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -76.24 -30.37 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -73.69 -31.14 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.12 -34.05 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.1 -32.04 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -66.05 -35.97 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.45 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -73.03 -31.91 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.11 -53.71 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.4 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.92 152.91 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 13.9 m-85 -149.93 111.06 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.42 139.02 57.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -152.19 145.36 24.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.433 ' HE2' ' CD2' ' A' ' 327' ' ' TYR . 3.7 ptmm? -108.63 146.4 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -124.66 122.54 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.5 ttm105 -97.43 37.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.41 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.59 120.8 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -46.92 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -69.18 -44.1 72.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.6 ttm180 -58.14 -42.87 86.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.28 -48.2 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -53.92 -35.26 61.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.5 -57.61 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.386 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.8 m-85 -59.85 -30.67 69.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -35.29 80.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.153 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -32.47 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.308 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.825 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -74.25 -31.37 62.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.555 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -73.66 -42.14 61.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.83 -29.8 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.3 -31.32 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -74.28 -38.88 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.84 -29.72 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -32.31 67.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 11.1 mttt -71.33 -38.04 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.45 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -70.83 -32.61 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.47 76.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 58.1 m-85 -103.3 118.98 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -104.19 136.56 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -100.34 147.87 25.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.714 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -148.94 109.34 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.41 105.46 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.714 HD11 HD23 ' C' ' 330' ' ' LEU . 3.9 mp -111.83 142.89 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 36.83 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 126.99 5.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -69.12 -47.33 65.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.36 -41.82 69.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.847 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.39 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.6 -43.73 98.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.083 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -57.31 -32.39 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.357 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.1 -60.75 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.211 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -61.67 -28.39 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -70.52 -33.6 71.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.204 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.19 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.213 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.693 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -76.78 -32.02 57.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.499 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' D' ' 332' ' ' ILE . 17.4 t30 -75.28 -39.96 59.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.658 ' O ' HD12 ' C' ' 350' ' ' LEU . 19.4 tp10 -73.64 -34.08 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.75 -33.14 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.2 mt -73.35 -30.98 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -68.59 -30.88 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.1 -45.89 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.26 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.07 -34.72 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.23 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -70.1 -36.53 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.76 32.11 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -87.9 151.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -147.42 87.92 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.74 151.73 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.914 HD23 HD11 ' D' ' 332' ' ' ILE . 13.1 tp -152.22 116.0 4.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -106.42 85.97 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.914 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mt -81.95 140.29 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 8.2 ptm180 -98.3 35.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.36 131.62 6.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.66 -41.44 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -75.46 -47.38 27.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.593 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -56.99 -45.92 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.0 -46.96 88.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -33.4 63.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.85 -58.35 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.307 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.25 -29.76 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -69.04 -36.85 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.277 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.1 -31.36 44.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.335 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.62 -29.79 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -75.94 -40.21 54.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.28 -33.26 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -31.68 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.847 HD13 ' HD3' ' C' ' 337' ' ' ARG . 5.5 mt -74.45 -31.93 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.12 -30.2 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.56 -37.07 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.6 OUTLIER -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.84 -35.73 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.88 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -32.61 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.498 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 30.8 m-85 -95.63 95.32 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.69 102.2 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -64.61 152.51 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 332' ' ' ILE . 45.3 tp -158.85 120.98 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -102.6 112.99 25.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.7 mp -116.91 140.55 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -98.51 31.12 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -116.55 113.63 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -68.22 -41.58 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.31 -54.51 7.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -55.92 -39.09 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.92 -47.17 84.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.43 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -34.56 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.5 ttp -66.38 -57.67 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.82 -30.14 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -68.1 -39.93 82.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.231 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -76.83 -32.12 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.237 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.025 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.55 -30.11 61.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.557 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -42.82 62.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.707 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.612 ' O ' HD23 ' A' ' 350' ' ' LEU . 18.7 tt0 -72.18 -31.13 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.94 -32.0 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 351' ' ' LYS . 2.0 mm? -75.05 -30.95 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -77.97 -31.38 50.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -78.11 -36.12 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -76.77 -29.23 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.91 -30.82 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.34 54.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -76.35 -31.65 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.57 -44.72 23.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.48 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 60.76 111.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -122.5 110.32 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -82.54 152.93 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.1 tp -154.67 139.52 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -103.97 93.78 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.7 mp -75.93 106.65 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 4.4 ttm-85 -91.59 75.97 5.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 146.68 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -75.91 -56.88 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.08 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 1.3 ttp85 -60.24 -53.16 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.55 ' CA ' HG21 ' B' ' 332' ' ' ILE . 7.6 t80 -61.68 -44.38 97.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.012 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.1 -31.78 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.325 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.629 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -66.98 -60.98 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.158 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.89 -28.63 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -68.09 -34.44 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.973 0.416 . . . . 0.0 110.216 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -80.45 -32.18 37.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.35 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mp -76.37 -29.95 57.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.517 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -76.11 -40.78 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.712 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.08 -31.48 64.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.05 -31.25 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -74.39 -34.91 63.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -69.76 -31.13 68.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.41 -39.38 81.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.41 -37.52 83.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.52 -32.88 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.14 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.21 -47.79 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.818 0.342 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 62.06 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -153.35 92.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.26 136.31 55.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' C' ' 332' ' ' ILE . 13.3 tp -137.85 100.42 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -67.57 97.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' C' ' 330' ' ' LEU . 25.4 mm -85.16 114.48 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -92.36 48.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.27 117.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -59.97 -41.33 91.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.327 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -50.99 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.53 -41.43 76.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD12 ' D' ' 330' ' ' LEU . 12.1 t80 -62.21 -48.24 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.4 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.6 -33.48 60.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -66.61 -57.87 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.22 -30.53 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.239 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -78.57 -32.15 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.23 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.818 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.2 mp -75.15 -31.02 60.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -73.17 -42.39 62.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.85 -31.47 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.93 -31.62 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.995 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.818 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.39 -39.37 68.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.796 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -66.43 -31.07 71.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.11 -42.65 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -60.17 -31.7 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.32 -38.37 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.18 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.5 -44.0 22.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.57 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 60.21 106.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 5.6 m-85 -122.7 95.63 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' C' ' 331' ' ' LYS . 95.6 m-85 -59.75 126.6 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.647 HD12 ' CE2' ' C' ' 338' ' ' PHE . 4.2 tt -128.71 104.29 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -80.71 124.14 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.54 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -119.08 130.16 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 31.09 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.24 115.2 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.1 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.92 -54.77 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.97 -37.51 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.71 -47.91 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.336 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.07 -32.96 62.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.1 ttm -67.03 -57.8 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.86 -30.41 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.27 -37.59 77.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.186 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.21 -31.36 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.238 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.42 -30.53 57.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.51 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.36 -31.74 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.34 -32.68 64.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.77 -39.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.56 -30.18 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.08 -45.08 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.777 ' HD3' HD13 ' D' ' 348' ' ' LEU . 6.4 ptmm? -70.67 -30.29 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.82 -31.01 56.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.4 -31.01 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -31.72 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.38 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.502 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 3.3 mp0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE2' ' HG2' ' B' ' 333' ' ' ARG . 70.9 m-85 -97.17 150.47 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 22.6 m-85 -151.39 89.48 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -95.46 135.84 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.578 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.8 pt? -137.28 138.95 40.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.411 ' HB3' ' CZ ' ' B' ' 329' ' ' PHE . 7.6 ptpp? -63.07 115.84 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' B' ' 330' ' ' LEU . 2.0 mt -107.47 105.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -84.56 75.17 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.62 114.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -60.08 -49.73 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.25 -42.31 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.8 ttm180 -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.2 t80 -59.87 -48.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.28 -33.28 58.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.73 -58.53 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -59.06 -29.77 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -65.47 -40.31 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.117 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -31.8 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.11 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 1.003 HD22 HD11 ' D' ' 344' ' ' LEU . 63.8 mt -73.59 -29.81 62.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.396 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.818 ' OD1' HG23 ' B' ' 332' ' ' ILE . 1.4 t30 -72.97 -46.58 51.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.11 -32.39 68.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.8 -30.07 61.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.805 HD13 ' HD2' ' A' ' 351' ' ' LYS . 2.2 mm? -72.53 -37.77 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.741 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -69.5 -29.85 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.93 -44.61 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.805 ' HD2' HD13 ' A' ' 348' ' ' LEU . 17.3 ptpt -69.5 -29.22 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.92 -31.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.02 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.02 -38.72 44.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.31 -59.67 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 9.5 pt-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -90.67 134.12 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.9 m-85 -110.34 93.03 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 331' ' ' LYS . 8.6 m-85 -59.88 142.44 53.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.885 HD23 HD11 ' B' ' 332' ' ' ILE . 6.8 tp -136.81 117.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -88.5 123.56 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.885 HD11 HD23 ' B' ' 330' ' ' LEU . 5.1 mt -127.67 133.29 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HG2' ' CE2' ' A' ' 327' ' ' TYR . 3.5 mtt85 -95.99 69.01 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.53 1.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -36.62 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.38 -46.34 55.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.35 -44.4 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.732 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.578 ' CE1' HD22 ' A' ' 330' ' ' LEU . 11.9 t80 -60.23 -47.55 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.58 -34.04 61.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttm -66.49 -58.68 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.279 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.648 ' CD1' HD13 ' B' ' 332' ' ' ILE . 4.0 m-85 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -67.1 -38.03 84.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.406 . . . . 0.0 110.17 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -78.76 -31.42 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.283 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.813 HD22 HD21 ' C' ' 344' ' ' LEU . 7.0 mt -77.3 -28.65 53.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.628 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -76.92 -39.15 51.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.669 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -73.49 -33.09 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.27 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.0 mm? -74.29 -34.85 63.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.58 -30.85 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -34.07 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 ttmt -65.27 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.75 -39.63 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.76 -31.47 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.87 -31.44 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -61.86 -31.15 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -85.61 119.0 25.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -106.32 96.16 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.27 112.67 4.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.474 HD23 HD11 ' C' ' 332' ' ' ILE . 18.1 tp -123.35 131.13 53.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' D' ' 329' ' ' PHE . 2.9 ptmm? -98.39 112.0 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.474 HD11 HD23 ' C' ' 330' ' ' LEU . 26.7 mm -97.69 133.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.431 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.86 116.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.93 -46.14 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.74 -45.16 53.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.752 ' CG ' HD13 ' D' ' 348' ' ' LEU . 18.3 mtm-85 -57.52 -45.13 85.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' D' ' 330' ' ' LEU . 11.3 t80 -60.64 -48.26 82.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.58 -33.46 60.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 mtp -66.76 -57.93 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.343 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.6 m-85 -61.05 -31.09 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.71 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -69.36 -41.96 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.65 -30.6 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.023 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.813 HD21 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.04 -42.3 60.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.302 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -68.44 -38.54 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.668 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.725 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -73.28 -28.18 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.077 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' C' ' 344' ' ' LEU . 4.1 mt -81.4 -25.74 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -27.65 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' C' ' 347' ' ' ALA . 1.5 pp -76.75 -37.12 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.475 ' HD2' HD23 ' C' ' 348' ' ' LEU . 2.5 ptpt -75.74 -30.65 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -75.68 -30.51 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.9 65.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.71 -44.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.25 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 60.72 111.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.2 m-85 -129.63 128.72 43.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' C' ' 331' ' ' LYS . 45.2 m-85 -85.72 121.89 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.642 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 11.7 tp -124.7 129.89 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 84.17 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.608 HD12 ' CE2' ' D' ' 341' ' ' PHE . 29.6 mm -70.58 92.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -73.01 78.15 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.34 122.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -61.83 -38.71 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -49.64 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.67 -43.42 80.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' D' ' 332' ' ' ILE . 11.2 t80 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -54.6 -34.51 62.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.602 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -66.24 -59.2 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' D' ' 332' ' ' ILE . 3.2 m-85 -61.88 -29.86 70.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -70.9 -37.47 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.81 -29.65 40.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.96 -30.97 56.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.529 179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -75.84 -40.76 54.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -31.52 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -77.23 -32.59 55.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.0 mt -74.64 -31.15 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.84 -30.56 67.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.6 -38.51 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.86 70.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.66 -31.74 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.72 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -80.13 -39.09 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.84 31.06 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 61.13 112.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -125.77 117.36 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.02 122.19 17.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 332' ' ' ILE . 11.5 tp -117.89 152.12 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -136.1 125.65 25.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -122.26 126.34 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 6.6 ptm180 -98.59 33.36 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.505 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.71 139.68 9.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.54 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.0 -38.25 79.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.622 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.82 -50.57 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.803 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.03 -46.84 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.57 -32.7 63.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.97 -58.89 4.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.1 m-85 -60.61 -29.47 69.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.79 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.223 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.51 -31.96 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.32 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 348' ' ' LEU . 76.6 mt -77.3 -29.1 53.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.36 -39.51 47.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.72 -31.9 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.32 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.29 -30.95 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.77 -30.81 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.44 -34.6 76.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -39.07 93.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -33.25 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.22 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -70.91 -32.62 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.97 64.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.816 0.341 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -106.1 150.68 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -137.87 152.85 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 331' ' ' LYS . 5.4 m-85 -120.37 152.95 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -164.41 104.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -87.35 97.73 10.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -84.88 141.68 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.53 32.65 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.15 117.08 2.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -62.55 -47.18 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.74 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.1 ttm180 -57.67 -48.27 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.0 t80 -59.92 -46.14 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.38 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -33.43 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttm -66.76 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.239 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' B' ' 344' ' ' LEU . 4.5 m-85 -59.83 -29.02 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.28 -35.22 79.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.198 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.24 -31.49 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.023 HD22 HD11 ' C' ' 344' ' ' LEU . 11.4 mt -77.17 -29.49 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.579 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -77.22 -39.48 48.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.709 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.419 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -74.85 -31.21 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.51 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -77.03 -32.39 56.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.419 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.4 mt -71.36 -31.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.547 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.32 -32.2 73.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.4 -33.69 76.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.28 -32.06 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 354' ' ' GLN . . . . . 0.676 ' OE1' HD21 ' C' ' 350' ' ' LEU . 5.0 mt-30 -77.4 -33.97 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.52 -58.17 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.543 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' D' ' 333' ' ' ARG . 8.2 m-85 60.62 84.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' D' ' 338' ' ' PHE . 1.5 p90 -150.5 131.33 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -93.88 154.57 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -128.72 125.85 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -60.61 108.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.64 98.14 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -73.86 93.12 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.1 127.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -60.84 -62.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -59.1 -34.69 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.55 -54.5 42.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.57 -43.32 99.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.046 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.98 -32.08 67.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.271 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.1 mtp -67.51 -61.01 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.58 -26.29 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -75.12 -39.08 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.277 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.66 -32.56 53.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.252 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.023 HD11 HD22 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -75.26 -30.39 60.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.461 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.71 -42.23 64.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.558 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.75 -38.64 80.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -70.47 -36.01 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.2 mm? -67.62 -31.84 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -34.35 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.676 HD21 ' OE1' ' B' ' 354' ' ' GLN . 0.6 OUTLIER -61.95 -44.79 96.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -59.52 -31.54 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -38.38 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.51 -31.19 65.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -74.92 -32.1 61.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.22 31.97 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 5.7 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -107.41 152.91 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 10.6 m-85 -132.11 93.01 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -85.67 139.46 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.9 tp -127.6 132.78 49.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -69.12 113.48 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mm -109.44 87.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' C' ' 327' ' ' TYR . 0.5 OUTLIER -73.47 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.812 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.69 113.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -57.21 -29.72 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.41 -59.59 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.657 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.642 ' CD2' HD22 ' C' ' 330' ' ' LEU . 7.8 t80 -62.02 -45.3 94.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.3 -35.59 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.43 -59.64 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.245 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.73 ' HA ' HD12 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.71 -28.92 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.13 84.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -77.18 -35.45 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.19 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.803 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.1 mt -71.43 -27.95 63.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.375 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -73.23 -47.85 39.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.47 -30.77 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.16 -31.09 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.803 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -76.2 -34.87 59.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -73.88 -31.2 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.79 -31.53 64.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.561 ' NZ ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -68.87 -32.08 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.33 -33.28 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.19 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.14 -31.74 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.83 -30.93 45.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.807 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 14.0 m-85 -92.59 105.71 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -87.16 152.34 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -105.59 145.91 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.702 HD13 ' CE2' ' B' ' 338' ' ' PHE . 13.8 tp -161.6 126.52 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.64 92.76 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.582 HD11 HD23 ' A' ' 330' ' ' LEU . 28.1 mm -74.46 132.3 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.71 31.12 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -130.67 131.51 6.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -69.12 -53.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.63 -42.75 67.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -47.13 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -59.34 -46.98 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.495 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -54.96 -34.89 63.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.96 -58.38 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.261 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.43 ' HA ' HD12 ' A' ' 344' ' ' LEU . 2.3 m-85 -62.7 -28.85 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -36.76 74.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.139 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.43 -34.27 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.987 HD22 HD11 ' D' ' 344' ' ' LEU . 16.1 mt -71.84 -34.98 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -67.54 -42.66 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.43 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.8 -45.46 78.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.57 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.627 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' HG2' ' B' ' 337' ' ' ARG . 8.9 tp -67.71 -39.51 84.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.44 -36.54 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.94 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 4.3 ttmt -60.2 -34.94 74.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -39.76 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.83 -31.06 69.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -112.32 28.66 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.95 -37.29 10.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.52 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.9 mp0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.96 89.93 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 21.5 m-85 -72.51 116.89 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.05 130.09 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 330' ' ' LEU . 8.9 tp -143.19 142.17 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -106.76 88.66 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -73.24 119.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.438 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -93.93 106.98 18.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 139.33 145.48 4.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.93 -64.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.18 -36.28 75.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.766 ' HG2' HD22 ' A' ' 348' ' ' LEU . 7.8 tpt180 -60.11 -52.65 64.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.1 t80 -61.37 -46.27 90.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.035 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.37 -31.85 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.414 ' HG2' HD12 ' B' ' 344' ' ' LEU . 35.3 ttm -66.67 -60.01 3.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.218 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -62.47 -30.13 71.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.39 -37.72 65.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.209 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.15 -30.08 43.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.189 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.32 -30.79 60.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.527 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -75.2 -43.48 51.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -31.15 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -79.0 -30.72 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.789 HD21 ' OE1' ' C' ' 343' ' ' GLU . 16.7 mt -76.47 -29.76 57.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.84 -33.3 68.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.42 -34.99 79.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.42 -35.13 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.35 -34.39 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.01 68.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -85.76 -53.66 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.29 123.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.16 153.53 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' D' ' 331' ' ' LYS . 3.5 m-85 -110.13 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.8 tp -160.0 134.8 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.431 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -95.29 86.89 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.551 HG23 HD21 ' D' ' 345' ' ' ASN . 3.7 mp -76.34 151.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -115.27 148.9 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 144.15 8.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -44.92 52.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.37 -36.36 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.655 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.59 -55.44 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.87 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.1 t80 -60.88 -41.66 96.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.22 -32.75 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.508 ' HE3' HD21 ' D' ' 344' ' ' LEU . 0.0 OUTLIER -67.8 -61.2 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.156 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.465 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.1 m-85 -62.72 -25.6 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.5 67.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 343' ' ' GLU . . . . . 0.789 ' OE1' HD21 ' B' ' 348' ' ' LEU . 3.9 tm-20 -80.15 -33.5 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.329 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.803 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.25 -30.52 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.465 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.12 -39.71 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.0 pt-20 -72.24 -34.35 68.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.99 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' D' ' 337' ' ' ARG . 20.9 mt -71.35 -39.4 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -33.79 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.411 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.5 mm? -65.85 -38.79 89.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.8 mttp -59.98 -36.38 77.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.61 -31.05 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.48 -43.99 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -29.38 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.4 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.529 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 59.98 106.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.94 113.16 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 13.3 m-85 -70.73 135.52 48.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 1.04 HD23 HD11 ' D' ' 332' ' ' ILE . 17.8 tp -134.68 126.04 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -87.29 83.8 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 1.04 HD11 HD23 ' D' ' 330' ' ' LEU . 32.2 mm -70.16 128.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.78 74.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.23 134.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -36.44 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.58 -53.04 17.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' C' ' 348' ' ' LEU . 15.1 ptp180 -56.14 -47.32 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.81 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.401 ' CZ ' ' HD3' ' D' ' 342' ' ' ARG . 4.9 t80 -59.01 -40.85 86.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.313 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.07 77.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.69 -53.81 51.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.473 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.9 m-85 -59.43 -36.01 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.704 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HD3' ' CZ ' ' D' ' 338' ' ' PHE . 1.1 tpt180 -62.78 -40.41 97.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.09 -30.36 55.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.31 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.01 -30.56 58.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.665 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.551 HD21 HG23 ' C' ' 332' ' ' ILE . 3.8 m-20 -74.45 -40.89 61.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.455 ' O ' HD12 ' D' ' 350' ' ' LEU . 18.1 mt-10 -75.76 -26.84 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -83.02 -30.98 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.749 HD23 ' HD3' ' D' ' 351' ' ' LYS . 5.5 mt -81.57 -28.12 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -27.46 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.455 HD12 ' O ' ' D' ' 346' ' ' GLU . 3.0 mt -79.11 -32.16 44.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.749 ' HD3' HD23 ' D' ' 348' ' ' LEU . 17.6 ptmt -75.65 -31.48 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.76 -32.06 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.65 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.99 -36.74 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.34 74.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.857 0.361 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 60.42 97.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -103.41 88.33 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -93.95 147.6 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 330' ' ' LEU . 1.9 pt? -153.11 145.34 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -77.5 121.46 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.455 HD12 HD21 ' B' ' 345' ' ' ASN . 25.4 mm -103.96 90.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.9 79.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.36 142.83 3.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -76.11 -66.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.87 -38.63 82.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.458 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 33.6 ttp180 -59.96 -52.84 63.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 8.2 t80 -62.15 -45.09 94.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.976 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.08 -31.45 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.364 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.457 ' CE ' HD22 ' B' ' 344' ' ' LEU . 11.2 ttp -67.54 -59.9 2.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.458 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.75 -28.05 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -71.6 -40.53 69.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.26 -33.01 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.291 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.76 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.44 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -71.88 -41.96 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.714 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -32.47 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.95 -31.0 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -38.59 67.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.32 -31.59 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.87 -36.76 78.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -33.77 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -31.23 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -80.22 -30.74 38.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.714 ' OE1' ' HB2' ' A' ' 355' ' ' ALA . 0.0 OUTLIER -88.83 -30.25 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.714 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . . . -123.17 -57.49 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.37 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.7 m-85 -110.08 100.75 9.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.35 147.32 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.667 HD23 HD11 ' B' ' 332' ' ' ILE . 13.7 tp -148.34 127.56 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -102.96 84.79 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.667 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -91.74 118.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -93.53 47.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.33 117.98 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.96 -57.16 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.81 -41.73 87.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.97 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.797 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.45 ' CE1' HD22 ' A' ' 330' ' ' LEU . 10.1 t80 -58.69 -46.02 88.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.63 -34.73 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -59.47 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.21 -28.89 67.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -36.24 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.408 . . . . 0.0 110.095 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -32.42 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.267 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -73.52 -30.48 63.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.467 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.455 HD21 HD12 ' A' ' 332' ' ' ILE . 25.4 m-80 -73.66 -44.97 55.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.733 ' O ' HD23 ' B' ' 350' ' ' LEU . 7.1 mt-10 -71.84 -30.7 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.437 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -77.24 -31.86 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.5 mt -75.29 -30.67 60.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -72.06 -31.0 65.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.733 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -66.99 -37.73 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 mtpt -60.44 -31.24 70.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -72.1 -36.27 69.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.12 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -87.36 -31.59 20.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 355' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -59.97 -33.21 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 61.16 112.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.69 109.79 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.18 111.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.6 tp -108.5 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -77.81 120.68 23.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mt -126.44 142.17 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 33.6 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.99 117.69 1.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -64.7 -40.26 95.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.0 -38.32 66.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.42 57.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.563 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.4 t80 -58.15 -41.36 83.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.305 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -55.93 -35.9 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -66.31 -60.98 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.059 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.454 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -60.27 -26.82 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -68.13 -33.31 74.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.115 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.44 -32.55 42.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' B' ' 344' ' ' LEU . 1.1 mt -75.96 -32.29 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -73.05 -40.28 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.94 -40.21 65.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.99 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD2' ' D' ' 337' ' ' ARG . 8.5 tp -72.42 -36.8 68.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.82 -37.13 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.61 -34.95 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 5.8 mmtp -61.14 -31.62 71.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.93 -37.24 87.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.13 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -115.63 31.64 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.4 -33.72 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.486 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.838 0.352 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 60.51 110.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -122.6 152.88 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.405 ' CE2' ' HD3' ' C' ' 331' ' ' LYS . 7.6 m-85 -106.59 146.49 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' C' ' 338' ' ' PHE . 65.0 tp -148.46 100.73 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -77.64 110.23 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' D' ' 330' ' ' LEU . 25.0 mm -95.1 117.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -81.92 79.41 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 155.93 138.98 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -34.34 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.29 -46.12 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD22 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -57.71 -48.66 78.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.16 -45.36 94.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -33.23 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.361 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttp -66.45 -60.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.048 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.2 m-85 -61.08 -29.61 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.888 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -71.24 -34.98 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.189 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.54 -29.85 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.25 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.573 HD11 ' HG ' ' A' ' 344' ' ' LEU . 3.8 tp -76.39 -29.82 57.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -77.52 -42.22 36.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.15 -28.71 57.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.763 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.93 -28.0 35.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.53 HD12 ' O ' ' D' ' 344' ' ' LEU . 10.0 mt -78.49 -33.56 48.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -72.2 -29.18 63.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.18 -35.36 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.642 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 13.0 mttm -60.51 -37.01 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -39.11 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -34.18 75.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.39 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.8 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.489 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -131.91 114.76 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 5.4 m-85 -109.04 152.97 24.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -130.69 124.58 31.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.74 131.74 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HG3' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -81.97 99.12 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.666 HD12 HD21 ' B' ' 345' ' ' ASN . 28.3 mm -79.0 99.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.1 78.5 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.91 132.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.94 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.61 -57.1 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.6 ptp85 -56.4 -41.5 76.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' B' ' 330' ' ' LEU . 3.8 t80 -63.28 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.343 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.85 -39.83 78.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.745 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.3 mtp -63.69 -55.39 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.458 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -61.09 -31.35 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -40.24 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.278 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.51 -30.53 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.235 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.38 -28.77 52.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.6 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.62 -39.87 51.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -31.87 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.66 -30.56 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' B' ' 337' ' ' ARG . 19.1 mt -78.37 -28.44 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.77 -31.74 59.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.46 -31.74 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.604 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -70.37 -31.72 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.71 -33.83 76.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.02 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.76 -51.39 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.99 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 60.88 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -123.64 101.24 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.432 ' CE1' ' HG3' ' A' ' 331' ' ' LYS . 6.1 m-85 -60.26 125.49 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 338' ' ' PHE . 7.7 tt -129.91 107.51 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 139.38 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.34 119.93 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -92.94 48.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.1 130.54 2.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -68.07 -41.53 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.73 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -48.13 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.731 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.28 -46.93 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.417 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.06 -33.31 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttm -67.14 -59.18 3.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 3.9 m-85 -60.33 -28.35 68.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.72 -36.13 80.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.208 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.51 -32.49 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.281 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' C' ' 344' ' ' LEU . 74.1 mt -76.54 -28.97 56.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.666 HD21 HD12 ' A' ' 332' ' ' ILE . 12.8 m-20 -76.04 -40.52 53.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.01 -32.94 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 337' ' ' ARG . 10.8 mt -74.65 -34.13 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.54 -31.49 68.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.8 -35.57 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.82 -33.62 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.71 -36.81 85.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -75.0 -32.57 61.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.69 -69.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.84 120.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 3.1 m-85 -129.1 147.3 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' D' ' 331' ' ' LYS . 6.6 m-85 -105.43 136.58 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.8 tp -135.93 105.83 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -81.66 86.14 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.7 mt -85.39 141.7 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 135.3 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 109.87 135.9 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -73.61 -32.84 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.331 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.07 -42.93 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.723 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.99 -51.26 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.27 -43.33 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.26 -34.39 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 tpp -66.76 -61.03 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HD1' HD13 ' C' ' 332' ' ' ILE . 4.4 m-85 -60.45 -27.02 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.772 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -69.74 -36.04 75.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.253 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.83 -31.81 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.342 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' B' ' 344' ' ' LEU . 77.8 mt -75.34 -29.89 60.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.574 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -74.99 -42.42 57.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.93 -32.84 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.82 -30.76 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.65 -35.77 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.791 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -68.45 -31.48 70.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.28 -38.83 85.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -60.31 -33.54 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.79 -31.78 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.54 -32.69 62.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.22 -68.81 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.487 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -81.64 143.78 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 66.6 m-85 -136.46 118.92 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -78.07 112.26 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.3 tp -107.42 107.14 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' C' ' 329' ' ' PHE . 4.4 mtmt -91.17 104.64 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.485 HG23 ' HE ' ' D' ' 337' ' ' ARG . 3.7 mp -98.12 139.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -99.69 34.35 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.53 142.53 11.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -33.69 58.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.03 -48.09 12.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.485 ' HE ' HG23 ' D' ' 332' ' ' ILE . 14.6 ttp-105 -57.16 -48.28 79.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.707 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.634 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.1 t80 -64.59 -45.54 86.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.984 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.15 -30.72 64.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.356 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.521 ' HG2' HD12 ' D' ' 344' ' ' LEU . 5.3 ttm -67.71 -60.93 2.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.218 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 2.6 m-85 -61.29 -27.58 68.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -71.34 -40.61 70.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.231 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -77.2 -31.64 55.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.589 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -75.76 -39.77 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -31.08 60.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.737 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.81 -31.11 45.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.787 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -77.4 -30.09 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.52 -30.91 63.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.56 76.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.55 -35.38 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.15 -41.03 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.76 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -78.97 -41.48 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.53 -41.9 75.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.46 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.777 0.322 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' HG3' ' B' ' 333' ' ' ARG . 8.1 m-85 61.4 113.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.09 104.7 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.27 141.01 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 332' ' ' ILE . 3.3 tp -151.94 104.55 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 1.2 ttmp? -87.29 106.82 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -115.45 116.05 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' B' ' 327' ' ' TYR . 19.0 ptt85 -78.03 -30.77 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.29 114.24 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -60.11 -37.35 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -74.62 -52.95 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -56.28 -42.57 77.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.705 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.29 -45.53 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.01 -35.4 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.588 ' O ' HD12 ' A' ' 344' ' ' LEU . 32.5 mtm -67.05 -56.25 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.5 m-85 -65.3 -24.97 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -42.24 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.337 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 340' ' ' MET . 1.7 pp20? -78.4 -27.1 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 348' ' ' LEU . 4.0 mt -77.82 -30.68 51.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.665 ' ND2' HG23 ' B' ' 332' ' ' ILE . 64.1 t-20 -74.44 -43.69 55.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.98 -32.0 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.47 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.42 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.1 mp -65.39 -47.85 74.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 11.4 mttt -59.17 -31.18 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.38 -37.99 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.29 -31.55 60.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.9 -31.34 31.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.26 -46.41 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.783 0.325 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 333' ' ' ARG . 34.4 m-85 61.45 116.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -123.4 112.69 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 76.1 m-85 -60.23 129.03 39.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.0 tp -141.04 102.37 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.67 104.24 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.665 HG23 ' ND2' ' A' ' 345' ' ' ASN . 3.6 mp -93.15 139.62 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 327' ' ' TYR . 6.7 ttt-85 -96.74 66.62 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.61 133.04 2.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -44.7 50.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.9 -46.8 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -57.18 -42.78 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.58 -48.11 83.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.47 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.33 -34.2 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -66.48 -58.13 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.4 m-85 -59.95 -29.47 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.94 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.137 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.74 -33.26 58.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.328 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.714 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -71.03 -32.24 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.424 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.87 -47.45 59.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.84 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -71.33 -32.1 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.59 -31.17 66.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.38 -36.63 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.666 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.8 mttt -60.77 -31.75 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.85 -31.64 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.8 -36.29 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -31.21 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 -56.13 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.515 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 63.16 123.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -142.09 104.24 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -70.14 130.29 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 338' ' ' PHE . 11.9 tp -130.88 145.03 51.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -122.95 112.31 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.556 HG21 ' HB3' ' C' ' 337' ' ' ARG . 27.2 mm -101.03 139.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -98.78 30.95 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -147.56 132.35 4.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -67.83 -39.64 83.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.7 -45.32 53.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.595 ' CD ' HD13 ' D' ' 348' ' ' LEU . 3.0 mtm180 -57.56 -44.88 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.74 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' D' ' 330' ' ' LEU . 12.1 t80 -60.88 -48.22 82.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -33.61 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 mtp -66.51 -58.86 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.277 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.417 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.8 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -41.17 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.87 -24.18 55.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.26 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.597 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -78.21 -38.72 42.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 346' ' ' GLU . 30.2 p30 -77.84 -25.35 48.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 110.801 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.7 mt-10 -82.5 -33.85 28.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.632 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.49 -34.25 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.681 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.57 -31.83 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.94 -26.92 60.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.92 -40.97 65.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -30.15 71.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.74 -33.19 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.9 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -68.5 -54.31 17.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -68.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.71 137.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -152.79 138.21 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' C' ' 329' ' ' PHE . 50.7 m-85 -106.95 144.1 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.934 HD12 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -145.98 130.26 17.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -98.33 84.61 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.934 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -78.99 138.69 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.9 ttm105 -95.83 42.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.68 117.13 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -66.99 -45.87 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.12 -46.89 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -57.26 -43.31 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 330' ' ' LEU . 12.8 t80 -61.0 -48.45 81.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.3 -34.28 60.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtp -66.6 -58.38 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.279 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.6 m-85 -59.86 -30.09 68.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -67.48 -41.55 84.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.65 -24.32 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.249 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.793 HD21 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -76.06 -35.81 59.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.818 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -41.32 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.583 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.599 ' O ' HD12 ' D' ' 350' ' ' LEU . 46.0 tt0 -71.51 -32.17 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -74.29 -37.26 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' C' ' 337' ' ' ARG . 0.5 OUTLIER -70.54 -30.91 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.47 -29.36 67.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -66.15 -45.75 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -66.48 -30.49 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.06 -33.4 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.23 49.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.1 -31.16 25.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.83 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.501 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.91 139.45 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 50.4 m-85 -133.31 115.08 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -85.28 150.33 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.52 130.05 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 93.59 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.8 mp -86.01 138.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -98.6 31.11 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.448 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -127.47 115.79 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.433 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -61.62 -47.96 83.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.13 -42.84 62.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.656 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.2 ttm180 -57.91 -48.09 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 11.2 t80 -59.51 -46.94 87.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.389 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.96 -34.05 62.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.52 -58.49 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.238 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 4.2 m-85 -59.25 -30.09 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -65.46 -39.82 92.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -73.06 -31.87 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.75 -46.06 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.313 179.336 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' B' ' 332' ' ' ILE . 30.9 t30 -62.88 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.708 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.8 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.1 tt0 -73.79 -31.51 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.89 61.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 344' ' ' LEU . 4.0 mm? -74.66 -38.31 62.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.5 -32.5 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -74.72 -37.91 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -30.81 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.16 -31.44 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.27 -38.94 63.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.43 -33.03 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.88 -55.8 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 8.6 m-85 61.17 112.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 18.4 m-85 -126.87 123.29 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.96 135.14 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.501 HD23 HD11 ' B' ' 332' ' ' ILE . 17.1 tp -135.43 136.72 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 122.71 39.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.715 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.9 mp -123.96 145.52 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -98.65 32.4 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.82 112.27 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -60.38 -30.83 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.59 -52.92 15.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -55.92 -40.85 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.58 -47.79 82.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.364 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -54.71 -33.83 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.5 -57.84 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.363 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.9 m-85 -61.42 -30.59 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.728 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -39.21 76.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.179 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -78.13 -31.1 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.916 HD11 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -75.55 -29.65 59.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.95 -42.52 57.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.55 -32.25 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.85 -31.03 51.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.656 HD13 ' HG3' ' A' ' 337' ' ' ARG . 4.5 mt -75.87 -30.07 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.88 -30.73 65.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -36.43 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -40.67 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.91 -40.36 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.01 43.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.526 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 10.9 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.821 0.344 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 7.1 m-85 -88.9 148.46 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 44.9 m-85 -144.44 98.13 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -60.21 146.58 43.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.5 tp -145.13 91.66 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 84.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.497 HG22 ' H ' ' C' ' 334' ' ' GLY . 4.3 mt -79.21 124.48 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 35.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.35 120.92 2.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.24 -37.76 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.827 ' HD2' HD13 ' D' ' 348' ' ' LEU . 1.2 tpp85 -59.76 -52.02 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -59.37 -45.02 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.58 -33.78 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.73 -60.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.232 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.0 m-85 -60.38 -27.55 67.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -36.9 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.097 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.6 -31.59 57.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.047 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.916 HD21 HD11 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -71.9 -39.68 69.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.365 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.509 ' OD1' HG23 ' D' ' 332' ' ' ILE . 1.3 t30 -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.68 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.487 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -68.12 -40.61 82.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.26 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' D' ' 337' ' ' ARG . 16.3 mt -69.14 -38.52 78.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.91 -30.7 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.487 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.2 mm? -68.16 -52.33 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -64.68 -30.81 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.46 -31.52 65.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.89 63.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.21 -42.74 12.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.61 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -141.78 142.87 33.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -152.91 102.69 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.29 137.73 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.477 HD23 HD11 ' C' ' 332' ' ' ILE . 33.6 tp -136.7 98.03 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.44 104.63 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.639 HG21 ' HG3' ' D' ' 337' ' ' ARG . 3.5 mp -100.53 136.89 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.7 ttt180 -98.57 31.85 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.423 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.01 126.56 2.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.52 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.31 -55.81 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.639 ' HG3' HG21 ' D' ' 332' ' ' ILE . 14.7 ptp180 -55.52 -46.36 77.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' D' ' 332' ' ' ILE . 4.2 t80 -59.45 -40.08 85.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.95 -41.93 79.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.704 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttm -61.6 -54.71 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.403 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.2 -36.32 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -39.37 92.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.206 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -78.32 -29.7 47.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.702 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -75.59 -30.94 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.542 179.603 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -74.95 -42.57 57.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.9 -30.31 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -33.47 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' C' ' 337' ' ' ARG . 6.8 mt -78.94 -27.01 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.8 -28.78 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.692 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -39.72 51.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -30.66 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.88 -31.17 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.36 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -86.77 -37.21 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.4 35.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 61.35 113.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -128.23 153.0 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.436 ' CE1' ' CE ' ' B' ' 331' ' ' LYS . 10.0 m-85 -108.56 142.18 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.499 HD22 ' CE1' ' B' ' 338' ' ' PHE . 18.4 tp -153.86 136.42 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' B' ' 329' ' ' PHE . 12.5 mtpt -106.53 107.21 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.62 127.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.4 OUTLIER -97.45 37.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.04 126.03 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -34.07 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -73.83 -50.49 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.877 ' HG2' HD13 ' B' ' 348' ' ' LEU . 9.5 mtm105 -57.12 -40.77 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' B' ' 330' ' ' LEU . 10.8 t80 -61.77 -47.78 83.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.432 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -66.91 -58.1 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.253 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.38 -28.7 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -36.3 76.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.938 0.399 . . . . 0.0 110.244 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -80.92 -30.17 35.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.103 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.73 -30.84 56.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.479 HD21 HD12 ' B' ' 332' ' ' ILE . 16.9 m-20 -75.82 -42.01 51.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.697 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.28 -30.85 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.35 -29.92 42.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.965 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 344' ' ' LEU . 15.1 mt -77.71 -30.52 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.96 -30.51 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.33 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 8.1 mtpm? -60.72 -38.34 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.67 -32.51 70.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -83.15 -32.1 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.47 -38.73 40.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 7.2 m-85 60.33 96.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 5.5 m-85 -108.98 107.79 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 331' ' ' LYS . 83.3 m-85 -60.51 153.19 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 338' ' ' PHE . 21.4 tp -160.66 123.53 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.436 ' CE ' ' CE1' ' A' ' 329' ' ' PHE . 0.1 OUTLIER -88.75 93.34 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.769 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 HD21 ' A' ' 345' ' ' ASN . 23.6 mm -74.06 95.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.01 72.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.19 128.4 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.98 -56.65 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 -41.48 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.1 ttm180 -57.9 -46.1 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.741 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.499 ' CE1' HD22 ' A' ' 330' ' ' LEU . 13.9 t80 -59.41 -48.93 79.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.473 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.6 mmm -66.95 -59.04 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.302 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.7 m-85 -59.87 -29.2 68.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -38.08 84.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.69 -30.93 52.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.297 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -75.05 -33.15 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.512 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -72.13 -40.93 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.11 -36.44 69.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.5 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.877 HD13 ' HG2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -74.89 -30.92 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.46 -31.07 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.71 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -60.03 -35.65 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.2 -34.97 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.42 80.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.2 -35.24 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 31.06 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 5.0 m-85 -118.52 122.88 43.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.78 136.58 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.888 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.1 tp -129.05 103.97 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -83.93 94.28 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -99.98 127.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -86.18 56.35 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.01 110.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.54 -34.56 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.26 -54.45 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.591 ' HD3' HD12 ' D' ' 348' ' ' LEU . 1.7 mtm105 -55.8 -40.19 72.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.671 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.887 ' CE2' HD22 ' D' ' 330' ' ' LEU . 11.7 t80 -63.17 -47.66 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.94 -33.61 62.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.661 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.475 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.8 ttp -66.41 -58.01 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.3 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.695 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -67.58 -35.85 79.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.97 -29.99 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.259 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.5 mp -77.11 -33.05 56.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.593 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -75.69 -38.47 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.427 ' O ' HD12 ' C' ' 350' ' ' LEU . 20.9 mt-10 -76.11 -31.2 58.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.07 44.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.2 -29.6 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.91 -26.99 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.427 HD12 ' O ' ' C' ' 346' ' ' GLU . 3.7 mt -73.84 -38.36 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -29.73 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.27 -31.54 64.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.16 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.68 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.56 66.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 60.85 111.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 20.2 m-85 -121.71 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -106.28 147.34 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' C' ' 338' ' ' PHE . 1.4 pt? -151.83 138.67 18.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -76.19 110.22 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' D' ' 330' ' ' LEU . 24.7 mm -93.81 104.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -73.86 90.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.4 124.39 1.06 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -64.43 -36.72 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.63 -42.54 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.757 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.92 -51.02 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.888 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.6 t80 -61.05 -44.6 97.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.71 -32.68 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.378 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -67.0 -60.7 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.171 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.7 m-85 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -34.5 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -31.61 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.264 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 344' ' ' LEU . 96.1 mt -76.02 -29.92 58.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.518 ' ND2' HG23 ' C' ' 332' ' ' ILE . 51.1 t30 -76.31 -41.69 47.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -74.27 -30.96 62.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -78.43 -30.66 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.591 HD12 ' HD3' ' C' ' 337' ' ' ARG . 14.8 mt -77.55 -29.79 52.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.44 -31.81 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.38 -41.16 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.29 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.62 -30.93 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.8 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -82.99 -34.75 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.416 -1.214 . . . . 0.0 112.515 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 61.14 112.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -130.06 98.42 4.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.431 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 57.1 m-85 -60.96 135.02 57.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' B' ' 338' ' ' PHE . 35.2 tp -139.1 90.69 2.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -70.65 99.19 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.9 128.11 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -94.18 75.34 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.08 123.1 0.91 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -68.2 -45.79 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.52 -43.43 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' B' ' 348' ' ' LEU . 8.8 mmt-85 -58.57 -51.26 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 330' ' ' LEU . 5.6 t80 -58.07 -41.51 83.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -38.66 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.509 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.6 mtm -67.36 -59.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.991 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.51 ' HE1' HD13 ' B' ' 344' ' ' LEU . 7.7 m-85 -61.93 -20.9 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.171 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -75.45 -33.46 60.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.986 0.422 . . . . 0.0 109.998 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.22 -30.6 48.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.271 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.785 ' O ' HD23 ' A' ' 348' ' ' LEU . 3.6 mp -72.46 -36.16 68.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -71.11 -43.43 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.73 -31.22 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.18 -34.99 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.779 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -64.58 -29.66 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.51 -41.45 84.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.49 -30.06 68.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.6 -46.82 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.25 69.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.63 21.96 16.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.8 -34.38 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.54 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.78 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -132.19 102.35 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.56 132.16 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 338' ' ' PHE . 11.0 tp -131.75 100.61 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 41.7 mttt -66.85 83.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -79.4 103.05 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -79.86 64.93 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.52 112.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -60.37 -40.92 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.03 -50.43 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -56.1 -40.75 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 330' ' ' LEU . 12.7 t80 -61.19 -48.59 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.434 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.8 -34.69 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.2 -58.48 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.66 -30.0 70.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.1 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.5 -33.3 60.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.277 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.775 HD21 HD11 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -72.31 -39.1 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.439 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -39.07 90.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.02 -46.6 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.88 -26.24 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.647 HD22 ' HG3' ' A' ' 337' ' ' ARG . 9.1 tp -70.82 -41.59 71.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.867 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.28 -27.96 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 mt -77.14 -41.04 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -29.8 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.67 -30.05 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.1 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -70.97 -34.59 71.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.02 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 15.5 m-85 61.36 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.447 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 22.3 m-85 -127.14 114.33 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.27 140.43 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -149.09 126.15 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 87.09 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 3.7 mp -71.86 132.94 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 4.9 ttt180 -103.53 76.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.56 141.32 4.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -76.67 -45.94 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.61 -46.17 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.782 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -49.7 75.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.66 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.216 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -57.11 -32.3 66.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.505 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.607 ' O ' HD12 ' C' ' 344' ' ' LEU . 5.2 ttm -67.66 -58.75 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.54 ' HE2' HD22 ' D' ' 344' ' ' LEU . 2.1 m-85 -63.4 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.695 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.57 -31.94 69.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.42 -34.03 54.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.775 HD11 HD21 ' B' ' 344' ' ' LEU . 2.0 mp -72.8 -37.51 67.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -68.6 -38.92 81.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.401 ' O ' HD23 ' C' ' 350' ' ' LEU . 5.3 tt0 -70.2 -44.96 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -68.11 -28.09 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.913 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.4 tp -70.67 -37.89 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.744 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.05 -31.3 72.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.401 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -66.49 -40.32 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 0.1 OUTLIER -59.82 -32.51 70.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.41 -31.48 65.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.13 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -30.77 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -110.88 30.72 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 6.3 m-85 -82.68 110.14 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -93.73 109.76 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.33 151.79 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' D' ' 332' ' ' ILE . 13.5 tp -161.77 107.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.5 108.69 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' D' ' 330' ' ' LEU . 4.9 mt -112.35 142.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 9.7 ttt-85 -98.66 35.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.46 112.56 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -59.4 -51.75 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.72 -46.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.913 ' HG2' HD22 ' C' ' 348' ' ' LEU . 1.3 tpp180 -57.64 -48.96 78.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' C' ' 330' ' ' LEU . 8.4 t80 -61.59 -44.44 97.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.132 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.69 -34.19 64.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -65.76 -60.15 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.579 ' HE1' HD22 ' C' ' 344' ' ' LEU . 5.8 m-85 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.5 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.078 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.56 -32.13 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.36 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.48 -33.39 64.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.611 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' C' ' 332' ' ' ILE . 18.3 m-80 -72.68 -42.51 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 -32.29 66.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.76 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.83 -32.71 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.782 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.51 -31.05 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -72.23 -29.11 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -47.86 79.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.54 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -105.49 20.06 19.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.06 -37.96 9.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.821 0.343 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.484 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 22.2 mt-10 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -89.8 152.91 21.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 27.3 m-85 -146.31 108.52 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HE3' ' B' ' 331' ' ' LYS . 85.6 m-85 -62.8 152.7 35.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.876 HD12 ' CE1' ' B' ' 338' ' ' PHE . 6.7 tt -161.62 118.49 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' B' ' 329' ' ' PHE . 0.2 OUTLIER -85.48 123.85 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.63 107.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 5.3 ttt180 -82.01 59.63 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.73 132.39 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -73.85 -32.58 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.17 -52.06 11.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.31 -40.85 75.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.804 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.5 t80 -62.55 -47.97 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.381 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -33.21 62.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -66.74 -57.89 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.359 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.7 m-85 -62.4 -31.02 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -70.65 -35.63 72.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.227 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -80.67 -31.76 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.18 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.723 HD21 ' CD2' ' D' ' 344' ' ' LEU . 1.6 mt -77.27 -31.05 54.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.6 -40.4 49.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 350' ' ' LEU . 17.8 mt-10 -73.83 -32.82 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.638 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.76 -32.54 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.788 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.6 mt -73.35 -33.3 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.98 -30.4 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.774 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -65.88 -37.8 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -58.99 -38.28 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -44.21 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.19 71.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -70.91 -31.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.97 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.495 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 5.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 12.7 m-85 -88.07 152.6 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.8 m-85 -147.69 102.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 331' ' ' LYS . 90.0 m-85 -60.35 133.47 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.804 HD13 ' CE2' ' A' ' 338' ' ' PHE . 18.0 tp -134.44 112.24 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 329' ' ' PHE . 5.1 mtpt -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.739 HD11 HD23 ' B' ' 330' ' ' LEU . 26.9 mm -78.91 127.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -98.6 32.5 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.534 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.37 124.76 1.93 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -60.63 -46.89 88.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -43.22 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.788 ' CG ' HD13 ' A' ' 348' ' ' LEU . 26.8 mtm-85 -57.92 -44.96 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.876 ' CE1' HD12 ' A' ' 330' ' ' LEU . 12.6 t80 -59.85 -48.44 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.87 -32.88 61.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.38 -58.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.0 m-85 -61.82 -29.43 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -69.44 -35.57 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.224 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -31.94 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.256 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.737 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -76.55 -31.57 57.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -74.05 -40.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.636 ' O ' HD23 ' B' ' 350' ' ' LEU . 11.2 tt0 -72.29 -35.84 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.643 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -30.33 64.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.2 mm? -72.21 -38.75 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.81 -29.91 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.636 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -70.27 -48.64 55.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.512 ' HD2' HD13 ' B' ' 348' ' ' LEU . 18.0 ptpt -64.74 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.24 -31.42 69.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.94 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -71.37 -46.24 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.75 33.5 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.532 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.815 0.341 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 60.7 111.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.62 123.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.444 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 0.9 OUTLIER -79.66 106.74 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' D' ' 338' ' ' PHE . 20.8 tp -108.29 95.86 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -79.93 111.29 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.547 HG22 ' H ' ' C' ' 334' ' ' GLY . 28.2 mm -103.01 132.51 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 32.88 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.547 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -133.12 126.17 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -63.79 -46.24 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.3 -47.61 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.643 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.741 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.52 -45.43 93.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -55.44 -34.56 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtp -66.53 -58.52 5.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.9 m-85 -62.01 -28.7 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -69.63 -34.43 74.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.977 0.418 . . . . 0.0 110.242 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.23 -32.05 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.07 -30.81 61.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -75.21 -41.62 57.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.741 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 -31.18 64.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -33.06 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -74.18 -31.16 62.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.15 -30.06 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.58 -43.33 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -66.39 -30.63 71.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.73 -31.63 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.28 71.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -78.99 -42.3 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.36 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -99.61 151.79 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.57 91.32 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.11 134.61 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.534 HD23 HD11 ' D' ' 332' ' ' ILE . 7.3 tp -145.81 108.75 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 7.5 ttmm -100.67 129.64 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.534 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -130.17 129.93 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.07 -34.03 75.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -59.63 114.63 6.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.575 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.88 -35.91 77.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.512 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.6 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.6 t80 -58.5 -45.88 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.364 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.34 -32.3 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.524 ' SD ' HD22 ' C' ' 344' ' ' LEU . 16.9 ttm -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.95 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.512 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 7.7 m-85 -57.69 -27.54 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -66.17 -38.42 88.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -32.27 61.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.723 ' CD2' HD21 ' A' ' 344' ' ' LEU . 4.0 mm? -72.9 -42.56 63.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.322 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.47 -38.32 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.37 -32.13 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -29.72 47.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.8 OUTLIER -78.59 -31.02 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.22 -31.26 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.17 -32.01 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.27 -32.27 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.52 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -72.04 -32.52 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.22 -32.09 43.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 6.2 m-85 -107.65 145.42 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.423 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 3.6 m-85 -134.2 152.38 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -104.78 135.02 46.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.891 HD13 ' CE1' ' B' ' 338' ' ' PHE . 21.0 tp -135.28 98.47 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' B' ' 329' ' ' PHE . 3.5 pttm -78.54 108.68 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -114.98 140.66 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 158.63 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.73 124.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.57 72.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.07 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.1 tpp180 -57.2 -47.15 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CD1' HD12 ' B' ' 330' ' ' LEU . 8.2 t80 -61.67 -44.34 97.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.252 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.68 -33.87 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 tpp -66.6 -61.14 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.074 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.784 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.4 m-85 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.37 -39.39 85.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.229 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.985 HD22 HD21 ' D' ' 344' ' ' LEU . 7.2 mt -67.48 -29.86 69.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.382 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -69.94 -51.79 29.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.619 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.92 -32.23 73.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.44 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 344' ' ' LEU . 2.8 mm? -68.22 -32.09 72.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.633 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -64.26 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.8 -49.35 73.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -59.17 -31.52 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.94 -39.42 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.17 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -93.46 -38.94 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 37.42 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 60.5 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -105.84 126.6 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 331' ' ' LYS . 8.5 m-85 -81.95 119.93 24.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.717 HD12 ' CD1' ' A' ' 338' ' ' PHE . 1.5 tt -105.18 93.25 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -66.43 84.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.538 ' CG1' HD22 ' B' ' 330' ' ' LEU . 4.5 mt -81.13 135.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 2.0 ttt180 -102.08 34.62 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.531 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.76 129.39 3.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -71.0 -39.89 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.81 -53.7 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -55.42 -40.85 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.891 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.6 t80 -61.66 -47.14 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.396 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.35 -34.83 61.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.16 -58.75 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.288 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.26 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.712 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -69.44 -33.81 73.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -80.17 -31.65 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.172 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.6 HD21 ' CG ' ' C' ' 344' ' ' LEU . 1.3 mt -75.23 -33.9 61.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.468 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -74.32 -41.27 61.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.05 -31.5 66.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.703 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.49 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 344' ' ' LEU . 12.3 mt -71.84 -40.27 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.93 -30.92 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -35.47 71.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.34 -35.22 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.86 -34.33 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.23 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -85.97 -33.97 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.58 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 8.2 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -103.66 126.2 50.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' C' ' 326' ' ' GLU . 35.6 m-85 -114.75 138.0 51.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 12.5 m-85 -104.54 125.32 50.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.616 HD23 HD11 ' C' ' 332' ' ' ILE . 17.4 tp -143.95 128.46 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -102.23 95.84 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.616 HD11 HD23 ' C' ' 330' ' ' LEU . 31.0 mm -71.44 135.47 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.8 OUTLIER -105.95 74.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.1 139.3 2.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -41.59 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.2 -48.02 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.7 ttm180 -56.85 -45.45 82.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.98 -46.99 88.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -33.42 62.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.59 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.75 -58.96 4.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.03 -29.54 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -37.51 78.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.989 0.423 . . . . 0.0 110.161 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.03 -31.61 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.19 -30.32 60.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.465 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.38 -43.21 57.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -30.59 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.38 -30.72 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.733 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.4 mt -76.93 -31.07 56.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.96 -29.59 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -35.87 77.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -66.15 -36.13 82.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -64.27 -34.22 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.35 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.21 31.2 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.13 -31.83 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.493 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 64.8 m-85 60.38 110.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -137.63 120.55 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HE2' ' C' ' 331' ' ' LYS . 8.9 m-85 -68.48 141.84 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -154.15 113.25 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.407 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 4.3 mtpm? -87.33 83.65 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -71.26 107.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -83.28 72.64 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.88 124.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -64.29 -46.05 85.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -43.44 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.652 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.32 -48.34 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.2 -46.79 87.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.516 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.72 -34.22 64.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.55 ' HE1' HD11 ' C' ' 348' ' ' LEU . 4.2 ttp -67.22 -58.09 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.267 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -63.74 -29.36 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -72.41 -36.24 68.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.092 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.41 -30.36 42.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.985 HD21 HD22 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -76.88 -39.03 52.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.45 179.439 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.75 -34.83 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -75.27 -31.43 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -34.81 60.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.8 mt -74.35 -32.59 62.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.19 -29.42 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -35.5 77.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -62.87 -40.21 96.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.65 70.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -77.47 -32.31 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.0 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.795 0.331 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 33.7 m-85 -139.83 90.41 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -88.99 102.71 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -106.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -129.26 137.24 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.435 ' HE3' ' CG ' ' B' ' 327' ' ' TYR . 6.5 ttpt -78.09 124.29 27.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.574 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.5 mp -118.54 134.16 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 23.1 ptt85 -93.6 71.6 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.06 125.08 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.35 -34.8 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.86 -50.74 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -55.86 -44.0 77.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.02 -47.24 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.447 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.94 -33.51 62.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.69 -59.27 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.257 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.12 -29.82 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -35.72 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.168 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.59 -30.14 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.4 mp -76.46 -34.95 58.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.46 -38.48 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.91 -33.24 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.6 54.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.44 -30.85 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.99 -30.84 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.39 -36.03 81.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.53 -41.89 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.42 -31.72 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.38 -39.6 85.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.11 -41.68 25.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.523 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.427 ' CB ' ' CZ ' ' B' ' 328' ' ' PHE . 2.8 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CG ' ' HE3' ' A' ' 331' ' ' LYS . 8.9 m-85 -96.43 148.12 23.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' CB ' ' B' ' 326' ' ' GLU . 17.7 m-85 -151.6 117.17 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.47 113.66 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 341' ' ' PHE . 6.3 tp -106.51 103.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.64 128.67 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.419 HD11 HD23 ' B' ' 330' ' ' LEU . 2.3 mt -126.29 118.74 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 1.2 ttt180 -92.48 82.93 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.77 132.44 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -61.1 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.323 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -33.62 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.754 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -62.48 -56.46 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.448 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 330' ' ' LEU . 6.0 t80 -61.33 -42.62 98.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.07 -31.67 65.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.425 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.543 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -66.95 -61.64 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 8.5 m-85 -59.5 -27.67 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.97 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -33.83 74.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 110.034 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.56 -32.09 42.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.416 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.689 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -76.62 -31.58 57.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -75.11 -38.2 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.89 -35.11 72.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.77 -38.43 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.8 mm? -68.8 -29.95 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -74.12 -46.98 39.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.743 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.3 pp -72.33 -27.32 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.743 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -79.89 -31.17 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -31.15 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.59 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -65.23 -31.85 73.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.35 -49.99 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 60.3 109.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -132.11 108.48 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -61.53 152.75 29.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' D' ' 338' ' ' PHE . 6.2 tp -139.68 84.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.54 83.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.4 mt -73.86 152.06 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -117.82 82.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 157.27 144.64 3.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -74.38 -41.21 61.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.13 -40.72 62.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -51.11 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.402 ' HA ' HD13 ' C' ' 332' ' ' ILE . 9.5 t80 -59.03 -45.72 90.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.483 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -57.22 -32.88 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.401 ' O ' HD23 ' C' ' 344' ' ' LEU . 4.1 ttm -68.59 -58.96 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.27 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -64.53 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -76.45 -36.48 57.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -75.57 -33.36 60.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.95 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.805 ' O ' HD13 ' C' ' 348' ' ' LEU . 3.5 mm? -74.08 -44.33 54.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.209 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -65.49 -32.15 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -46.5 52.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.685 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.61 -24.72 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.805 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.5 mp -74.58 -40.47 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -68.15 -26.52 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -72.4 -41.07 66.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -68.59 -28.33 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.49 -31.42 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.21 52.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.18 -30.54 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.86 34.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.43 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.3 m-85 -86.77 152.89 22.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 40.0 m-85 -146.84 126.37 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -83.57 116.36 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -114.97 100.15 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -71.79 107.35 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.585 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.1 mt -109.23 121.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -95.43 75.76 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.01 119.82 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -60.41 -37.15 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -46.24 37.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NE ' HD23 ' C' ' 348' ' ' LEU . 8.3 ttm180 -58.0 -49.71 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' C' ' 330' ' ' LEU . 6.8 t80 -59.69 -42.99 94.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.336 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.72 -34.5 65.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.74 -61.24 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.112 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.585 ' HD1' HD13 ' D' ' 332' ' ' ILE . 5.6 m-85 -61.41 -26.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.98 -33.89 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.078 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -81.12 -31.42 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.781 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -75.59 -30.61 59.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -75.66 -43.22 48.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' HD23 ' D' ' 350' ' ' LEU . 14.9 tt0 -72.54 -31.31 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.51 -34.41 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.781 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.4 mm? -71.6 -31.9 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.81 -31.71 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.741 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.485 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.5 mm? -67.79 -34.56 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -39.25 93.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.72 -34.08 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -73.96 -31.44 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -124.27 77.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 68.3 m-85 60.68 111.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -121.21 109.48 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' B' ' 331' ' ' LYS . 95.2 m-85 -82.41 101.42 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' B' ' 338' ' ' PHE . 4.6 tp -96.18 108.13 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -70.82 83.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.412 HG23 ' HE ' ' A' ' 337' ' ' ARG . 3.5 mt -79.24 99.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' B' ' 327' ' ' TYR . 2.2 mpp_? -85.26 57.08 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -156.98 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -58.38 -46.83 85.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.55 -46.95 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.457 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.0 ttp180 -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.38 -42.21 95.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.269 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.3 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.95 -61.36 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.105 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 5.1 m-85 -62.11 -25.45 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -37.26 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.983 0.42 . . . . 0.0 109.996 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.9 -31.65 59.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.847 HD11 ' CD2' ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.95 -43.54 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.99 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.07 -32.7 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.39 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.865 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -76.96 -35.49 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.65 -29.24 64.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.8 -41.36 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.457 ' HB3' HD13 ' D' ' 350' ' ' LEU . 10.5 ptmt -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.45 -31.24 62.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.71 -36.31 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -31.27 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.61 -40.75 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.532 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.802 0.334 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' HG3' ' A' ' 333' ' ' ARG . 70.1 m-85 60.26 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.2 m-85 -121.01 95.77 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -65.34 150.93 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' B' ' 332' ' ' ILE . 14.6 tp -148.05 108.49 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 329' ' ' PHE . 4.2 ptmm? -98.38 128.64 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' B' ' 330' ' ' LEU . 3.7 mp -136.57 136.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.4 33.26 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.5 113.19 1.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.68 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -73.2 -52.26 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.865 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -56.07 -47.55 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -61.92 -45.01 95.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.203 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.8 -33.75 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -59.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.239 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.21 -29.74 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -37.16 84.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.939 0.399 . . . . 0.0 110.033 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -76.28 -31.66 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.818 ' O ' HD13 ' B' ' 348' ' ' LEU . 4.5 mp -75.03 -41.01 60.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.412 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.26 -32.96 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.469 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -71.91 -47.3 53.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -66.98 -27.38 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.818 HD13 ' O ' ' B' ' 344' ' ' LEU . 6.2 mp -72.07 -38.53 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.779 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -29.48 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.46 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.54 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.06 58.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -80.19 -31.53 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.5 -33.15 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.545 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 60.53 110.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -123.39 108.0 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -76.8 125.87 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.681 HD12 ' CE1' ' D' ' 338' ' ' PHE . 4.0 tt -113.15 139.6 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.477 ' N ' HD23 ' C' ' 330' ' ' LEU . 0.0 OUTLIER -99.72 114.73 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.715 HG21 ' N ' ' C' ' 338' ' ' PHE . 3.6 mp -95.16 113.3 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 51.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.52 144.86 7.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -69.8 -58.23 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.38 -39.82 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -59.63 -52.38 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.631 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.715 ' N ' HG21 ' C' ' 332' ' ' ILE . 7.6 t80 -61.72 -44.71 96.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.054 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.83 -31.62 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.365 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -61.22 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -59.27 -28.06 66.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -37.61 82.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.135 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -78.06 -30.13 49.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.787 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.6 -36.05 60.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -71.8 -38.29 70.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.438 ' O ' HD12 ' C' ' 350' ' ' LEU . 4.6 tt0 -73.26 -30.29 63.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.07 -39.88 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.01 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.847 HD22 ' NE ' ' D' ' 337' ' ' ARG . 4.6 pp -76.28 -25.87 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 349' ' ' GLU . . . . . 0.575 ' N ' HD12 ' C' ' 348' ' ' LEU . 4.9 tt0 -78.29 -29.72 48.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.438 HD12 ' O ' ' C' ' 346' ' ' GLU . 4.9 mt -71.31 -31.61 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -72.71 -31.46 65.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.44 -36.17 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.93 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -81.33 -31.14 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.16 38.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.07 151.66 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -139.17 155.01 48.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.03 124.68 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.961 HD23 HD11 ' D' ' 332' ' ' ILE . 12.7 tp -131.08 153.1 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.81 110.26 22.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.961 HD11 HD23 ' D' ' 330' ' ' LEU . 28.5 mm -109.93 95.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 104.82 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.97 133.08 2.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -74.63 -38.66 62.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.25 -45.18 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.847 ' NE ' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -58.59 -51.08 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.681 ' CE1' HD12 ' C' ' 330' ' ' LEU . 5.9 t80 -60.78 -42.41 97.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.73 -32.3 65.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.21 -62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 9.5 m-85 -59.25 -27.33 65.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.934 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -68.85 -35.87 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.003 0.43 . . . . 0.0 109.969 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -31.09 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.185 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 344' ' ' LEU . 98.0 mt -73.24 -31.42 64.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -73.74 -45.65 50.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.87 -30.15 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.11 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -36.51 68.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -67.22 -31.41 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 351' ' ' LYS . 2.5 mt -65.77 -37.69 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -64.21 -36.58 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -34.68 77.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.28 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -92.17 -31.72 15.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 -56.89 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.791 0.329 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 61.59 114.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.424 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -132.44 110.83 10.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -66.07 141.09 58.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.705 HD23 HD11 ' A' ' 332' ' ' ILE . 20.7 tp -139.51 98.64 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -84.47 100.89 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.705 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mp -99.76 153.32 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' B' ' 327' ' ' TYR . 6.7 ttt85 -113.18 123.22 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.91 144.14 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -29.94 60.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mp0 -76.75 -46.54 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.624 ' HD2' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.98 -52.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' B' ' 330' ' ' LEU . 4.5 t80 -62.38 -40.94 98.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.017 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.48 -32.9 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -61.67 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.055 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.527 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.9 m-85 -60.9 -26.99 67.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -69.86 -34.53 73.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.5 -32.74 42.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.194 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' D' ' 344' ' ' LEU . 6.6 mt -73.98 -30.76 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.495 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' B' ' 332' ' ' ILE . 59.2 t-20 -73.37 -44.6 58.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.579 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.58 -34.06 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 350' ' ' LEU . . . -72.32 -32.04 66.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -38.9 76.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -62.54 -31.37 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 347' ' ' ALA . 17.7 mt -64.9 -45.16 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -59.93 -32.35 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -35.8 76.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.09 -33.51 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.31 -37.68 60.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.85 -49.39 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.483 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 331' ' ' LYS . 6.5 m-85 63.27 127.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -135.82 127.43 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 331' ' ' LYS . 1.1 m-85 -81.63 145.3 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 338' ' ' PHE . 16.4 tp -139.94 102.13 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -82.55 98.63 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.68 HD11 HD23 ' B' ' 330' ' ' LEU . 3.6 mp -101.26 131.04 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -88.79 74.25 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.36 128.35 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -33.54 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.81 -50.81 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -56.09 -44.06 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' B' ' 342' ' ' ARG . 39.4 t80 -62.03 -47.86 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.283 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.26 -33.24 63.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.619 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttm -66.03 -57.91 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.272 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.36 -33.75 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -67.67 -39.37 84.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.059 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.2 -29.35 48.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.171 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.786 ' CD1' HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.39 -32.35 60.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.594 179.59 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -73.77 -42.26 61.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.667 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -31.3 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.2 -36.76 61.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.624 HD12 ' HD2' ' A' ' 337' ' ' ARG . 12.2 mt -74.74 -24.85 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -79.35 -26.22 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.636 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -43.55 40.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.02 66.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.776 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.27 -33.45 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.27 -33.2 67.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.57 -59.32 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.508 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 60.89 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.2 m-85 -119.91 147.17 45.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 145.27 32.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' D' ' 338' ' ' PHE . 9.5 tp -149.18 106.47 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.27 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' C' ' 338' ' ' PHE . 33.7 mm -67.92 123.1 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 144.9 131.4 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -66.15 -42.91 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.63 -51.43 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -55.91 -44.9 78.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -64.17 -48.38 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.972 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -30.9 59.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.58 -60.39 2.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 1.7 m-30 -59.85 -30.29 68.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -43.26 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.36 -32.07 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.288 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' B' ' 344' ' ' LEU . 4.0 mt -71.51 -31.63 67.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.461 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.84 -47.44 62.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -69.16 -32.63 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.37 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -42.39 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.09 69.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -43.34 80.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 27.0 mttt -60.23 -40.92 91.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.99 -31.49 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.16 73.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -82.51 -37.55 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -54.96 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.71 111.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.94 135.25 47.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.96 138.95 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.895 HD13 ' CE1' ' C' ' 338' ' ' PHE . 21.3 tp -141.36 109.09 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -98.91 111.28 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.72 124.17 67.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -84.02 71.38 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.92 129.88 1.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -31.82 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -56.74 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.4 tpp180 -57.0 -37.59 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 8.5 t80 -66.61 -45.53 78.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.215 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -32.85 62.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 ttm -67.15 -61.68 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.98 -27.95 68.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' C' ' 330' ' ' LEU . 0.4 OUTLIER -68.95 -33.67 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.031 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -34.81 59.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 344' ' ' LEU . 76.1 mt -71.22 -36.8 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.422 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.75 -42.25 86.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.73 -45.19 75.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.582 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -29.1 68.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' C' ' 337' ' ' ARG . 13.1 tp -68.39 -38.42 81.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.73 -31.18 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.03 -42.59 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.49 -32.05 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -68.69 -31.39 70.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.94 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.64 -37.42 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -35.18 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 5.6 mm-40 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 6.4 m-85 -171.17 105.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.66 87.8 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.43 152.87 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.603 HD13 ' CE1' ' B' ' 338' ' ' PHE . 10.5 tp -156.25 119.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 118.77 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.38 123.3 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -95.59 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -35.55 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.42 -51.39 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.26 -42.14 76.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -62.4 -48.59 79.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.69 -32.93 60.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.699 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.73 -57.08 7.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.07 -31.69 72.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.631 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -68.43 -37.71 80.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.201 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.36 -31.26 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.224 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.751 HD21 ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -74.67 -31.2 61.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.76 -43.32 59.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.6 tt0 -71.92 -33.98 68.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.4 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.4 -32.15 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.707 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -67.96 -30.93 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -65.77 -44.85 84.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -59.68 -30.68 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.68 -39.18 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.94 72.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -81.23 -39.49 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.12 73.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 19.4 m-85 -95.57 135.02 37.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 3.4 m-85 -112.15 99.34 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -59.5 138.22 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -142.08 132.17 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -96.49 121.78 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.69 105.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 5.8 ttp85 -92.37 48.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.85 117.03 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.7 -40.02 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -52.8 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -56.44 -44.6 80.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.808 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.2 t80 -62.2 -44.59 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.272 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -55.1 -34.17 63.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' B' ' 344' ' ' LEU . 4.0 ttp -66.66 -60.95 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.104 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.455 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.8 m-85 -61.54 -27.82 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.96 -33.63 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.121 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.65 -31.77 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.265 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 348' ' ' LEU . 2.4 mp -75.89 -31.86 59.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -74.37 -41.38 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.491 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.6 mm-40 -70.47 -33.97 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -70.98 -34.07 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.833 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.1 -40.06 78.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.32 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.491 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.7 OUTLIER -65.37 -42.46 92.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -59.29 -33.53 71.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -36.48 79.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.24 63.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -75.75 -32.46 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.67 -34.89 22.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.508 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -113.94 153.95 28.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -147.24 109.91 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' D' ' 331' ' ' LYS . 15.5 m-85 -70.67 153.3 42.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -156.24 100.71 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -83.07 120.59 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.511 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -117.95 137.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.424 ' CG ' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -98.68 31.3 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.28 118.67 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -61.2 -41.77 97.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.3 -44.39 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.618 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.0 ttm180 -57.82 -47.66 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.715 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.705 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.6 t80 -60.14 -46.34 89.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.74 -33.77 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 mtp -66.66 -57.65 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.382 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.416 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.3 m-85 -62.83 -30.45 71.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -70.75 -36.2 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.95 -34.28 44.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' B' ' 344' ' ' LEU . 0.8 OUTLIER -72.59 -29.92 63.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -72.22 -47.64 48.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.637 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.809 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -70.13 -39.24 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -65.47 -38.64 90.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.74 -30.61 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.75 -37.53 79.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.35 -35.77 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.08 -33.18 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.2 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -76.59 -44.77 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.63 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CZ ' ' CG ' ' C' ' 333' ' ' ARG . 13.2 m-85 -140.09 152.54 46.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -146.56 88.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.35 130.47 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.705 HD13 ' CE1' ' C' ' 338' ' ' PHE . 14.8 tp -131.02 129.66 42.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' C' ' 329' ' ' PHE . 21.2 mtmt -98.03 101.79 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -88.79 122.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -94.51 44.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.25 131.0 2.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -71.1 -34.07 70.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.96 -53.63 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.4 -38.99 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.625 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -63.55 -48.35 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.56 -33.41 60.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttm -66.36 -57.96 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.32 -31.67 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.194 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -80.65 -30.82 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.214 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.751 ' CD2' HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.86 -30.19 56.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.03 -41.25 43.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.45 -30.58 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.66 -30.76 46.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.7 mt -76.8 -31.76 57.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.02 -29.28 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.23 -35.62 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.8 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.42 -34.57 74.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.23 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -80.39 -38.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.77 87.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.772 0.32 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -164.99 153.07 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -146.32 103.64 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 130.83 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.707 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.2 tt -137.22 153.05 50.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.644 ' N ' HD23 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -129.03 115.66 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -98.45 153.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -114.91 41.17 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.97 138.46 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -32.61 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -45.85 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.09 -49.98 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.815 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.4 t80 -61.1 -43.72 98.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.214 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.59 -32.68 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.377 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.4 ttm -67.42 -61.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.3 m-85 -60.41 -26.61 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.759 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -69.96 -35.04 74.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -80.17 -31.87 38.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.306 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.753 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.17 -30.21 54.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.595 179.596 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.42 -38.72 55.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.699 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -74.3 -33.79 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.779 179.812 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.55 -31.53 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' B' ' 337' ' ' ARG . 9.3 mt -75.45 -30.79 60.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -71.48 -31.06 66.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.14 -38.23 85.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -60.19 -38.4 83.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.98 -31.76 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 54.9 m-85 -122.81 152.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -144.12 97.65 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 331' ' ' LYS . 3.6 m-85 -69.2 153.1 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 338' ' ' PHE . 10.4 tp -164.95 118.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -89.24 111.03 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.554 HD11 HD23 ' B' ' 330' ' ' LEU . 25.6 mm -92.67 125.08 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.67 31.32 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.47 121.62 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.17 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -39.88 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.25 -49.99 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.707 ' CE2' HD12 ' A' ' 330' ' ' LEU . 11.9 t80 -59.59 -47.35 85.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.325 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.59 -32.04 62.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.67 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.297 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' B' ' 344' ' ' LEU . 3.2 m-85 -61.52 -29.27 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -36.28 77.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.249 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.37 -32.28 43.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.263 179.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.925 HD22 HD11 ' C' ' 344' ' ' LEU . 7.2 mt -76.31 -29.3 57.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.74 -40.77 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.4 mt-10 -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.495 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.82 -32.64 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.7 mt -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.77 -31.13 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.5 mm? -70.9 -47.0 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD23 ' B' ' 348' ' ' LEU . 13.9 ptmm? -67.66 -31.49 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -31.57 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.64 -30.91 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -73.92 -33.47 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.89 84.73 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.976 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.76 147.96 52.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -141.93 88.08 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 26.8 m-85 -59.46 153.02 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' D' ' 338' ' ' PHE . 7.8 tt -151.99 119.85 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.423 ' HE3' ' CD2' ' D' ' 327' ' ' TYR . 15.8 tttp -83.64 137.61 33.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.564 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mp -133.24 127.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.8 ptp85 -98.53 30.63 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -142.61 123.28 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -48.83 23.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' D' ' 348' ' ' LEU . 15.3 mtm180 -56.17 -47.34 78.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.757 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.444 ' CE1' ' HD3' ' C' ' 342' ' ' ARG . 12.1 t80 -59.62 -45.8 90.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.413 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' C' ' 342' ' ' ARG . 3.6 mt-10 -56.44 -29.78 62.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -76.16 -49.46 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 1.9 m-85 -67.18 -30.67 70.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 342' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' C' ' 338' ' ' PHE . 17.1 ptt180 -73.97 -34.35 64.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -36.63 46.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.925 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -70.01 -29.72 66.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.42 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.82 -49.41 38.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.647 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.0 -30.28 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.6 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -70.84 -36.6 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.9 -31.3 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' B' ' 351' ' ' LYS . 3.8 mt -67.98 -44.65 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' C' ' 355' ' ' ALA . 14.8 mttm -60.26 -31.36 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.26 -32.11 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -31.7 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -118.24 31.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' C' C ' 355' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -175.21 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 47.2 m-85 -154.85 152.05 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -143.33 98.42 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.47 152.94 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.467 HD23 HD11 ' D' ' 332' ' ' ILE . 31.8 tp -138.99 149.72 45.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 19.6 mttt -118.17 83.88 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.467 HD11 HD23 ' D' ' 330' ' ' LEU . 3.1 mt -86.76 113.6 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.83 39.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.26 123.69 2.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.06 -48.54 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.15 -44.98 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -57.61 -43.54 84.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' C' ' 330' ' ' LEU . 13.9 t80 -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.31 -34.12 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.0 tpp -66.72 -58.4 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.312 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -62.36 -29.78 70.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -71.43 -36.01 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 110.149 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.06 -30.88 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.241 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.753 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.39 -30.1 57.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.565 179.601 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -76.51 -41.03 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.754 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.41 ' O ' HD12 ' D' ' 350' ' ' LEU . 16.4 tt0 -74.2 -30.25 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.96 43.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' C' ' 337' ' ' ARG . 4.7 mt -77.43 -27.38 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.5 56.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.41 HD12 ' O ' ' D' ' 346' ' ' GLU . 1.7 mt -71.78 -37.96 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.666 ' HD3' HD23 ' D' ' 348' ' ' LEU . 1.4 ptmm? -71.75 -31.1 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.3 -31.49 65.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.35 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mt-30 -68.29 -32.12 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.71 -56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.446 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.832 0.348 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.27 141.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -155.46 113.52 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.75 137.17 47.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.0 tp -139.08 123.08 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -99.55 84.81 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.619 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -85.24 109.76 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -82.36 72.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.48 134.31 2.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.95 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.05 -47.89 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.775 ' CG ' HD13 ' B' ' 348' ' ' LEU . 14.1 mtm180 -56.78 -44.64 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -60.79 -47.43 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.389 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.98 -33.35 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD12 ' A' ' 344' ' ' LEU . 4.9 mtp -67.01 -58.69 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.433 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.0 m-85 -61.06 -28.9 69.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -36.25 75.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.266 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.09 -32.23 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.272 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.5 mp -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.535 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 345' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' B' ' 332' ' ' ILE . 6.8 t30 -74.14 -42.65 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 179.808 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.13 -32.0 68.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.15 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.3 mm? -72.59 -38.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.776 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.01 -32.38 72.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -37.78 74.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -64.67 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.13 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.12 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -82.9 -34.23 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.71 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.522 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.27 89.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -106.78 102.32 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -71.97 151.87 42.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.4 128.4 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -105.15 103.91 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.491 HG23 ' OD1' ' A' ' 345' ' ' ASN . 27.9 mm -86.14 140.99 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.52 33.58 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.09 118.62 1.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.421 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -61.36 -38.22 86.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.03 -49.91 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.54 -43.22 79.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.677 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.72 -48.56 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.291 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.11 -33.64 58.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.68 -58.2 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.327 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.53 -29.74 68.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -44.08 78.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.124 179.359 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.97 -24.35 52.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.258 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.615 ' O ' HD12 ' B' ' 348' ' ' LEU . 1.2 tp -78.54 -32.11 47.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.704 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.74 57.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' B' ' 350' ' ' LEU . 29.8 tt0 -73.43 -33.45 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -32.4 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -73.25 -32.46 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.15 -31.09 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.0 mm? -67.8 -46.51 71.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -60.86 -34.47 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.44 -31.61 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.4 44.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -88.22 -31.46 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.95 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.62 99.92 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.8 150.82 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.2 133.21 54.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.721 HD23 ' N ' ' C' ' 331' ' ' LYS . 5.3 tt -146.21 132.95 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.721 ' N ' HD23 ' C' ' 330' ' ' LEU . 18.7 tttt -106.78 119.75 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -103.78 144.33 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -107.05 37.43 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.75 134.49 6.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -70.47 -47.32 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.57 -44.81 56.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.758 ' HD3' HD13 ' D' ' 348' ' ' LEU . 26.3 ttp180 -57.95 -50.0 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -62.71 -46.44 88.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.989 179.338 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.28 -30.88 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.451 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.39 -59.58 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 1.5 m-85 -61.97 -28.96 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.71 179.634 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -71.21 -37.87 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.54 -32.75 54.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.398 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.664 ' O ' HD12 ' C' ' 348' ' ' LEU . 60.8 mt -75.04 -29.35 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.592 179.585 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.633 ' OD1' HG23 ' D' ' 332' ' ' ILE . 12.4 t30 -74.48 -42.1 59.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.27 -31.94 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.54 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.664 HD12 ' O ' ' C' ' 344' ' ' LEU . 3.9 mt -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -30.16 68.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -37.48 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -31.41 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -33.41 71.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.09 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.96 -32.38 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.29 -69.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.498 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.5 mp0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.91 152.6 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 33.7 m-85 -144.73 127.04 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.42 121.89 37.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' C' ' 338' ' ' PHE . 12.8 tp -118.5 151.53 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -130.66 83.91 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.633 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -78.01 131.54 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -99.13 31.6 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -138.68 132.01 5.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -76.21 -40.56 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.65 -55.6 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.543 ' HG3' HG21 ' D' ' 332' ' ' ILE . 18.4 ptp180 -55.55 -46.7 77.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.496 ' CE1' HD12 ' C' ' 330' ' ' LEU . 4.3 t80 -59.37 -40.1 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -40.87 77.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.8 mtm -63.13 -55.15 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.379 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -59.22 -32.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.31 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.261 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -31.3 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.814 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -74.18 -32.89 63.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 179.542 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -71.06 -43.2 68.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.71 -31.96 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.678 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.992 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.847 HD23 ' HE3' ' D' ' 351' ' ' LYS . 3.0 mt -77.73 -30.19 51.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.03 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.48 -36.9 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.847 ' HE3' HD23 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -76.38 -28.31 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.847 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.39 -30.41 53.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.78 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -69.96 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.545 179.972 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 60.67 111.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.1 m-85 -117.47 95.71 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -60.05 151.52 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -166.18 129.45 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.418 ' C ' HD12 ' A' ' 332' ' ' ILE . 1.6 mptt -97.68 152.98 18.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.7 mp -142.76 132.9 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -98.62 33.02 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.84 124.86 3.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.38 -47.27 14.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 332' ' ' ILE . 30.5 ttm180 -58.05 -50.56 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.3 -43.99 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.9 -31.29 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.452 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -59.68 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.322 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.482 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.6 m-85 -63.78 -26.97 68.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.665 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -37.71 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -78.49 -33.25 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.903 HD11 HD23 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -75.62 -30.64 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.441 179.53 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.3 -31.93 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.662 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.04 -36.44 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -68.44 -39.99 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.54 -30.67 70.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.84 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -65.93 -31.49 72.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -32.67 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.45 61.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -34.85 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 -36.24 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 62.51 147.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -154.87 108.4 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 20.1 m-85 -82.65 151.4 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -156.19 151.77 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -120.47 108.97 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.49 101.03 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.47 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.67 127.29 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 30.7 ttt85 -71.01 -36.1 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.26 -46.71 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -57.23 -42.6 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.9 t80 -60.69 -48.27 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.91 -34.39 59.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -58.76 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.282 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 5.1 m-85 -59.08 -30.1 67.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HD3' ' CE2' ' B' ' 338' ' ' PHE . 5.1 tpt85 -66.56 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.19 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.42 -30.04 47.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.026 179.163 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.57 HD23 HD21 ' C' ' 344' ' ' LEU . 0.1 OUTLIER -74.35 -39.34 62.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.518 179.529 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.29 -38.32 78.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.32 -38.16 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.81 64.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' B' ' 344' ' ' LEU . 12.1 mt -73.82 -32.48 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -68.6 -31.79 71.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.3 -34.24 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -65.26 -35.87 82.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -35.27 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.8 -31.2 66.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.64 -41.44 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.23 -61.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.828 0.346 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' D' ' 333' ' ' ARG . 20.5 m-85 -96.11 151.61 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.61 105.46 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' D' ' 331' ' ' LYS . 29.6 m-85 -69.95 122.48 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' D' ' 338' ' ' PHE . 9.0 tp -122.68 108.17 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 84.13 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.63 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.7 mp -74.0 135.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.54 33.68 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.443 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.34 125.74 3.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -65.19 -47.26 77.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.16 -43.78 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.661 ' CG ' HD13 ' D' ' 348' ' ' LEU . 10.2 mtm180 -57.76 -46.82 83.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.4 t80 -59.96 -47.71 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.423 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.22 -32.88 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.427 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.3 ttm -66.95 -58.09 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.374 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.97 -30.45 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -35.65 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.235 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -80.39 -31.97 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.191 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.721 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -76.66 -31.82 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.39 179.506 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -74.27 -40.78 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.55 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.476 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 tp10 -72.37 -36.62 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.571 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.16 65.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.838 HD13 ' HG3' ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.23 -38.03 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.62 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -30.55 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.476 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.62 -38.33 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -33.14 71.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.88 -42.73 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.22 66.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.1 -31.49 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.63 32.82 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 60.59 111.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 21.5 m-85 -127.25 114.67 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -72.76 142.17 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 14.0 tp -144.32 102.2 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.416 ' HG3' ' CZ ' ' C' ' 329' ' ' PHE . 24.9 tttt -78.1 83.95 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.542 HD13 ' HD2' ' D' ' 341' ' ' PHE . 4.4 mt -79.91 120.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' C' ' 327' ' ' TYR . 7.5 ptt180 -96.38 74.67 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.5 134.27 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -50.59 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 -40.88 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.838 ' HG3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.38 -49.55 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.7 -46.88 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.373 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -55.55 -32.55 63.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.437 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.3 ttp -67.19 -59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.247 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.542 ' HD2' HD13 ' D' ' 332' ' ' ILE . 3.7 m-85 -60.61 -29.14 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -34.52 75.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 0.0 110.253 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -80.68 -30.86 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.301 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.903 HD23 HD11 ' A' ' 344' ' ' LEU . 2.9 mp -77.73 -31.96 52.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.597 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -76.59 -38.14 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.99 -31.24 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.58 -32.15 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.993 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.661 HD13 ' CG ' ' C' ' 337' ' ' ARG . 6.9 mt -75.74 -31.88 59.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -71.71 -30.06 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -36.55 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -68.53 -31.53 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.52 -31.67 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -79.93 -31.37 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.1 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.505 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' B' ' 333' ' ' ARG . 19.3 m-85 -130.5 144.88 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.91 113.93 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HG3' ' B' ' 331' ' ' LYS . 63.7 m-85 -74.42 144.4 44.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.651 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.5 tp -136.23 119.54 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.99 102.26 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.58 HD12 ' HE1' ' A' ' 341' ' ' PHE . 28.0 mm -89.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 36.73 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.82 144.98 12.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -65.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.82 -36.46 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.506 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -60.51 -53.67 54.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 179.703 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' HD13 ' B' ' 330' ' ' LEU . 8.0 t80 -62.61 -45.67 91.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.867 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -56.8 -30.86 64.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 340' ' ' MET . . . . . 0.53 ' HE3' ' HE2' ' A' ' 341' ' ' PHE . 3.0 tmm? -67.38 -61.2 2.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.421 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' A' ' 332' ' ' ILE . 2.7 m-85 -60.73 -27.78 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -37.78 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -78.23 -31.54 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.34 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.64 -32.84 58.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.482 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.23 -39.68 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.676 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.98 -31.74 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -74.96 -31.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -74.02 -37.69 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.773 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.69 -31.21 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.92 -35.47 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -60.68 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.88 -33.49 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.71 -31.43 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -76.39 -31.66 58.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.13 33.67 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 61.64 153.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.27 94.74 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.35 152.57 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.512 HD23 HD11 ' B' ' 332' ' ' ILE . 13.6 tp -156.37 115.52 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 329' ' ' PHE . 8.7 ttmt -93.67 102.98 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.512 HD11 HD23 ' B' ' 330' ' ' LEU . 3.7 mp -100.59 140.4 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' A' ' 327' ' ' TYR . 45.5 mtp180 -105.94 72.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -173.62 134.56 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -75.93 -38.56 57.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.06 -47.29 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.757 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -48.56 78.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.707 179.85 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.651 ' CE1' HD13 ' A' ' 330' ' ' LEU . 9.3 t80 -61.01 -45.65 93.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.502 179.658 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.62 -58.85 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.245 179.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.34 -29.87 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.675 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -70.54 -37.38 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.304 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.07 -31.17 44.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.799 ' O ' HD23 ' B' ' 348' ' ' LEU . 87.8 mt -76.77 -29.64 56.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -76.15 -40.05 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.95 -30.99 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.15 -30.65 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.0 mm? -75.11 -36.51 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.14 -30.57 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -76.86 -32.03 57.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.94 -31.67 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.74 -31.41 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.28 70.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.0 -32.25 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.64 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.976 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 8.8 pt-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -84.29 153.04 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 51.2 m-85 -130.34 148.57 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -112.32 152.75 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.592 HD13 ' CE2' ' D' ' 338' ' ' PHE . 6.3 tp -163.33 147.4 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.409 ' HD3' ' CD2' ' D' ' 327' ' ' TYR . 22.1 ttmt -114.83 128.62 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -115.56 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.3 ptm180 -62.9 -30.55 71.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.07 132.87 11.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -71.53 -46.85 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.67 -38.66 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.768 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.87 -48.65 80.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.6 t80 -58.85 -47.13 85.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -33.51 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.476 ' O ' HD12 ' C' ' 344' ' ' LEU . 30.4 ttm -66.62 -59.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.451 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.2 m-85 -60.3 -28.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.28 -34.29 75.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.251 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -81.06 -31.61 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.286 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.66 HD23 HD21 ' B' ' 344' ' ' LEU . 3.0 mp -77.43 -30.87 53.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -77.57 -39.5 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.67 -28.18 55.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.19 -29.33 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.737 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.539 HD13 ' CG ' ' D' ' 337' ' ' ARG . 14.0 mt -77.32 -36.97 53.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.79 -28.18 61.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -32.34 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -66.53 -31.72 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.46 -34.45 75.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -67.48 -33.15 74.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.17 -68.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD2' ' HD3' ' C' ' 331' ' ' LYS . 76.8 m-85 61.04 112.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.442 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 3.4 m-85 -121.71 91.96 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 150.03 48.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.5 tp -168.1 134.61 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 131.66 54.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.481 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -108.07 142.38 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 31.71 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.18 118.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -60.7 -37.38 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -73.32 -46.37 49.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -46.89 81.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.592 ' CE2' HD13 ' C' ' 330' ' ' LEU . 10.7 t80 -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.63 -34.25 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.615 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -59.81 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.446 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.8 m-85 -60.98 -27.69 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -69.55 -36.55 76.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.189 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.17 -31.57 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.239 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.653 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -76.6 -29.04 56.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.479 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -76.39 -41.72 46.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.42 ' O ' HD12 ' D' ' 350' ' ' LEU . 15.0 mt-10 -74.59 -32.1 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.68 49.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.99 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' C' ' 337' ' ' ARG . 6.1 mt -77.11 -31.31 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.5 -29.54 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.42 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.5 mt -75.23 -38.93 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.668 ' HD2' HD23 ' D' ' 348' ' ' LEU . 9.7 ptpt -71.14 -30.51 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.86 -30.97 66.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.72 -31.24 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.448 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.44 -30.91 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -98.1 36.64 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 23.8 m-85 -142.3 147.3 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -155.46 95.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 61.4 m-85 -63.82 146.53 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.88 126.53 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 138.35 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.81 118.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -79.56 70.6 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.87 112.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -39.24 85.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.08 -44.26 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' B' ' 348' ' ' LEU . 9.1 mtm180 -57.51 -44.11 84.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.728 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.641 ' CE2' HD22 ' B' ' 330' ' ' LEU . 12.9 t80 -60.39 -49.03 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.17 -33.29 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -66.59 -58.0 6.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.322 179.502 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.97 -31.38 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 4.2 tpt85 -71.6 -38.41 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.163 179.487 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -79.83 -29.5 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.227 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.789 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -77.57 -30.5 52.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.567 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -77.45 -40.47 43.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.36 -29.75 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.2 -31.06 38.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.783 HD13 ' NE ' ' B' ' 337' ' ' ARG . 5.8 mt -77.8 -30.03 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.688 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.37 -27.88 61.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -42.84 70.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.589 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 1.6 ptpp? -65.79 -30.24 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.67 -31.52 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -85.38 -39.33 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 78.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.797 0.332 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 60.29 108.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -114.47 100.02 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.39 127.06 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.641 HD22 ' CE2' ' A' ' 338' ' ' PHE . 27.2 tp -141.86 140.44 32.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 4.4 mptt -109.06 122.1 46.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.53 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -111.14 138.87 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 0.5 OUTLIER -98.54 31.3 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.461 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.63 114.02 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.494 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -60.21 -47.98 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -63.09 -40.56 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.783 ' NE ' HD13 ' A' ' 348' ' ' LEU . 4.0 mmp_? -57.81 -49.37 76.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.02 -44.5 78.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.28 -39.27 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 340' ' ' MET . . . . . 0.497 ' HE1' HD11 ' A' ' 348' ' ' LEU . 7.8 ttm -67.23 -59.47 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.052 179.292 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.9 m-85 -62.06 -18.96 62.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -36.21 59.45 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.223 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HG3' HD12 ' B' ' 344' ' ' LEU . 6.7 pt-20 -80.22 -28.68 38.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.766 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -78.33 -32.32 49.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.528 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -76.12 -39.63 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.35 -31.13 60.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.06 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 337' ' ' ARG . 2.6 mt -77.13 -30.52 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.769 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.66 -28.86 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.6 -40.55 69.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.481 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 1.5 ptpp? -66.56 -29.63 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.9 -32.42 72.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.87 -31.57 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.91 -30.91 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.53 -179.956 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' C' C ' 326' ' ' GLU . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 2.8 tp10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.795 0.331 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -118.62 151.19 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 9.6 m-85 -145.18 112.69 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.64 144.15 54.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' D' ' 338' ' ' PHE . 15.9 tp -139.59 113.38 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' D' ' 329' ' ' PHE . 8.4 mptt -77.18 90.99 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.31 104.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -85.31 76.71 10.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.69 136.82 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -74.91 -41.06 60.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.06 -46.98 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.454 ' CG ' HD13 ' D' ' 348' ' ' LEU . 21.7 mtm180 -57.03 -45.09 83.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.8 t80 -60.14 -47.07 87.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.451 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -34.23 62.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.54 -58.42 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.313 179.51 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 3.5 m-85 -60.55 -29.69 69.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -68.41 -36.18 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.255 179.49 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -80.35 -30.49 38.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.795 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -77.52 -30.01 52.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.601 179.588 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.18 -39.47 48.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.1 -29.63 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.03 -33.69 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -74.8 -32.47 62.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -72.1 -28.95 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.22 -42.31 65.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -67.28 -31.43 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -31.67 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -31.03 69.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.0 -33.49 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.77 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.514 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 60.45 100.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.406 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.8 m-85 -107.01 89.64 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' C' ' 331' ' ' LYS . 88.3 m-85 -60.37 152.27 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' C' ' 338' ' ' PHE . 24.0 tp -161.26 138.96 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.612 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.2 mp -107.5 143.21 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.96 96.88 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.54 128.47 2.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -60.26 -50.48 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.82 -33.19 75.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -62.23 -55.37 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.545 ' CE1' HD13 ' C' ' 330' ' ' LEU . 6.1 t80 -60.82 -42.4 97.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.083 179.472 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.29 -32.49 68.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.441 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 mtp -67.94 -59.61 3.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.344 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.7 m-85 -62.66 -25.8 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.726 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -72.1 -37.81 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.336 179.46 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.85 -29.96 40.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.305 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.789 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -78.62 -30.61 46.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -78.04 -39.49 41.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -30.07 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.632 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.59 -30.73 52.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' C' ' 337' ' ' ARG . 12.9 mt -76.22 -35.18 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.99 -30.28 65.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -38.19 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' D' ' 355' ' ' ALA . 14.0 ttmm -69.73 -31.18 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -32.08 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.93 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.26 -32.21 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -105.46 31.05 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.853 0.359 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.82 147.01 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.97 103.3 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.94 121.25 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 332' ' ' ILE . 13.4 tp -132.32 134.33 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -90.77 115.92 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.983 HD11 HD23 ' A' ' 330' ' ' LEU . 29.4 mm -107.62 131.77 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.5 95.65 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 154.27 128.61 1.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -64.63 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.12 -39.11 85.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.94 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.808 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.76 -44.46 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.53 -31.89 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.376 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.33 -60.01 2.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.261 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.3 m-85 -63.07 -28.55 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 179.606 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.143 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.81 -32.41 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.364 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 348' ' ' LEU . 86.3 mt -71.02 -31.59 68.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.534 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -71.94 -47.63 51.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.29 -31.46 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 179.75 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -75.09 -31.99 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.4 mm? -71.82 -34.91 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.65 -30.47 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -44.91 83.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -60.71 -35.22 75.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.74 -31.47 69.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.74 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.36 -32.4 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.16 -43.43 82.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.425 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 8.4 pt-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -107.53 152.81 23.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' B' ' 326' ' ' GLU . 15.2 m-85 -150.35 122.01 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -73.66 148.2 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.7 tp -145.36 111.05 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -85.95 83.92 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.5 127.22 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -100.25 78.31 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.48 3.17 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.28 -42.52 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.48 -43.75 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.3 OUTLIER -58.6 -50.87 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.72 179.83 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.64 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.142 179.428 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.73 -32.58 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.371 179.457 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.9 ttm -66.8 -61.25 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.123 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 6.1 m-85 -58.96 -28.1 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.523 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.56 80.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.037 179.315 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.24 -32.03 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' C' ' 344' ' ' LEU . 4.0 mm? -72.36 -44.31 62.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.516 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -65.96 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.79 -43.28 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.09 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 tp -77.79 -37.16 49.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.67 -26.8 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.54 72.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -72.94 -31.73 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -76.72 -31.13 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.49 -31.21 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.19 -31.37 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.59 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.542 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.809 0.337 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 60.91 111.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 66.5 m-85 -133.15 109.37 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' D' ' 331' ' ' LYS . 50.4 m-85 -69.39 152.72 44.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.436 HD23 HD11 ' C' ' 332' ' ' ILE . 15.3 tp -165.0 118.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 108.06 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.621 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -101.49 135.64 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.03 -30.56 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.496 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -71.8 130.62 17.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -75.14 -49.66 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.1 -46.09 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.816 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.6 tpt180 -57.97 -49.34 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.747 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 7.6 t80 -62.05 -44.15 97.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.151 179.443 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.52 -33.51 66.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.9 ttm -66.03 -60.12 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.608 ' HE1' HD22 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.41 -29.23 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 179.598 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -65.2 -37.38 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.127 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -77.18 -31.48 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.679 ' CG ' HD11 ' B' ' 344' ' ' LEU . 2.0 mp -73.86 -31.15 63.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' D' ' 332' ' ' ILE . 14.8 t30 -73.14 -44.0 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.717 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.45 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -73.8 -31.91 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -36.53 70.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.4 -29.35 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.62 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -43.52 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.36 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.53 -32.71 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -74.39 -41.14 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.47 -54.33 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 179.97 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.3 139.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 15.1 m-85 -153.03 109.23 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.99 152.47 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 330' ' ' LEU . 7.6 tp -162.59 138.18 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -109.35 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.65 101.69 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 66.19 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.15 115.77 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -60.21 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.343 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.18 -48.25 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 5.8 ttm180 -56.48 -44.17 80.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 12.1 t80 -61.45 -48.64 80.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -32.27 59.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttm -66.85 -57.68 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.384 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 1.8 m-85 -61.88 -31.73 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -32.4 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.363 179.505 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.43 -32.58 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.399 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.608 HD22 ' HE1' ' C' ' 341' ' ' PHE . 4.5 mp -73.77 -38.7 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.613 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 345' ' ' ASN . . . . . 0.621 ' OD1' HG23 ' C' ' 332' ' ' ILE . 53.1 t30 -68.68 -37.49 79.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.669 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.493 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt0 -72.18 -43.95 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.816 HD22 ' HG2' ' C' ' 337' ' ' ARG . 6.8 tp -72.29 -36.75 69.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.38 -29.56 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.493 HD23 ' O ' ' D' ' 346' ' ' GLU . 4.2 mm? -69.12 -49.9 52.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.578 ' HD2' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -64.31 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -70.08 -31.49 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.2 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -91.08 -35.87 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.32 -60.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 60.65 111.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.53 101.95 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.93 129.47 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 116.2 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -89.04 106.91 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 341' ' ' PHE . 3.8 mp -102.47 131.67 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -96.56 94.79 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.65 134.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -74.66 -33.57 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.765 0.317 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -75.39 -54.6 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.848 ' CG ' HD13 ' B' ' 348' ' ' LEU . 18.8 mtm180 -55.04 -41.66 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.746 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.0 t80 -61.88 -47.07 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 339' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 342' ' ' ARG . 6.0 mm-40 -55.93 -30.75 62.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -72.92 -54.15 9.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.934 0.397 . . . . 0.0 110.27 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.545 ' HE1' HG21 ' A' ' 332' ' ' ILE . 1.6 m-85 -66.91 -28.52 68.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.216 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 342' ' ' ARG . . . . . 0.418 ' CG ' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -79.42 -32.62 42.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.969 0.414 . . . . 0.0 110.195 179.492 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -33.51 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.227 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -74.1 -32.3 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 179.4 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.04 -43.44 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.714 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.8 pt-20 -75.01 -23.23 58.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -85.51 -29.67 24.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.8 mm? -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 179.766 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -31.76 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.08 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 350' ' ' LEU . 3.6 pp -80.1 -29.94 39.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' N ' HD12 ' A' ' 350' ' ' LEU . 4.6 ttmm -78.52 -29.9 46.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.82 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.17 -31.06 60.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.42 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.41 -32.43 37.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -57.05 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.17 106.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -113.03 114.37 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -68.81 151.61 46.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HD11 ' B' ' 332' ' ' ILE . 9.0 tp -160.03 103.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -71.79 103.57 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.839 HD11 HD23 ' B' ' 330' ' ' LEU . 27.6 mm -88.12 115.5 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 78.18 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.43 141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -73.94 -56.54 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.03 -37.8 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -59.72 -51.92 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.36 -45.25 94.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.246 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -56.44 -31.84 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -67.01 -61.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.103 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' B' ' 344' ' ' LEU . 6.2 m-85 -59.29 -28.45 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -68.64 -34.85 76.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.229 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.56 -30.99 41.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' B' ' 348' ' ' LEU . 15.5 mt -75.23 -30.24 60.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.615 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -75.83 -43.13 47.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.666 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.51 -30.05 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -31.3 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.848 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -75.99 -31.22 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.902 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.67 -30.18 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.36 82.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 351' ' ' LYS . . . . . 0.507 ' HZ2' HD23 ' B' ' 348' ' ' LEU . 9.3 mttp -60.31 -38.66 84.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -35.87 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.83 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -84.92 -36.81 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.09 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.472 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 60.78 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -124.2 117.97 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 329' ' ' PHE . . . . . 0.43 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 87.3 m-85 -64.46 127.26 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.72 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -132.0 98.15 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -99.54 105.75 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.599 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -103.26 137.04 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 31.06 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.498 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -125.37 129.32 6.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -75.52 -42.48 52.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -73.93 -50.45 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -57.29 -40.37 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.728 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.33 -47.44 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.61 -34.62 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.697 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 tpp -66.17 -57.52 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.0 m-85 -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -37.01 84.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.221 179.452 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.36 -32.65 55.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.354 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 344' ' ' LEU . 66.1 mt -73.61 -29.32 62.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.589 179.605 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.29 -44.64 51.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -32.07 66.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.494 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -77.24 -30.21 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.411 HD12 ' HD2' ' D' ' 337' ' ' ARG . 14.6 mt -75.78 -31.18 59.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.92 -31.19 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.22 -41.65 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -31.54 72.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.94 -34.28 77.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.72 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -81.02 -41.95 21.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.56 36.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.537 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.6 147.7 26.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -134.1 95.88 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.79 137.01 56.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.529 HD23 HD11 ' D' ' 332' ' ' ILE . 14.3 tp -149.43 99.84 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 331' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 15.3 ttmt -87.59 85.89 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -73.27 149.67 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -110.6 38.5 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.9 141.1 10.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -74.77 -66.98 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.9 -37.7 77.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.2 OUTLIER -60.52 -53.46 57.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.826 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -61.91 -43.98 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.76 -31.99 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.32 179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.9 -60.17 2.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.287 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.47 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.2 m-85 -62.46 -28.89 70.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.716 179.599 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -71.71 -37.2 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.169 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.86 -31.76 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.256 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.813 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.4 mt -75.5 -30.05 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.587 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.89 -42.1 58.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.9 mm-40 -72.37 -32.72 66.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -75.57 -30.69 59.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.813 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.61 -34.09 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.46 -29.36 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -70.56 -44.97 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.595 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -65.88 -31.03 71.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.96 -31.45 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.68 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -30.12 24.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 355' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -111.11 36.45 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.513 179.991 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 326' ' ' GLU . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 2.0 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.835 0.35 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -98.14 152.49 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 328' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 326' ' ' GLU . 18.1 m-85 -139.2 89.29 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' B' ' 329' ' ' PHE . 0.1 OUTLIER -65.79 129.5 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.874 HD13 ' CE1' ' B' ' 338' ' ' PHE . 17.2 tp -126.96 124.38 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 83.67 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.9 mp -79.68 143.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -109.93 74.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.33 122.93 0.9 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.04 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.33 -49.49 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.1 -48.99 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 179.832 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.4 t80 -61.59 -43.49 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.185 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.71 -34.09 67.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -59.35 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.22 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.3 m-85 -63.41 -29.7 70.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.4 -33.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.072 179.335 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -81.54 -31.46 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 179.254 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.732 HD11 HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.21 -33.01 56.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 179.518 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -75.93 -40.38 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.438 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -72.03 -32.45 67.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.646 179.708 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.82 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 344' ' ' LEU . 12.3 mt -69.15 -39.77 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.666 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.61 -30.79 71.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -65.24 -40.57 94.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -59.95 -33.01 71.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -38.3 83.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.32 84.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -65.06 -32.27 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.81 -71.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.537 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.8 0.334 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 60.55 106.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 17.4 m-85 -116.77 123.63 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 329' ' ' PHE . 68.4 m-85 -77.82 134.46 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.825 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -139.07 115.81 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -90.74 103.24 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.825 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -103.11 99.43 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -71.4 79.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.26 135.11 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -74.5 -66.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -59.73 -37.35 78.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 tpp180 -59.31 -51.23 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.1 t80 -59.3 -46.72 87.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.257 179.587 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -55.19 -32.43 62.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.4 ttp -66.71 -60.85 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.187 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' B' ' 344' ' ' LEU . 7.0 m-85 -58.75 -27.48 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -67.9 -37.17 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.028 179.275 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.05 -32.64 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' C' ' 344' ' ' LEU . 32.7 mt -71.51 -31.18 66.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.504 179.639 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.08 -46.87 55.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -66.63 -31.3 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.34 -37.03 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -66.89 -38.42 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.737 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -30.39 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.71 -38.41 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.961 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.1 -36.65 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -59.82 -33.04 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.69 -33.06 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -80.25 -40.88 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.84 32.03 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -159.21 152.54 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 10.5 m-85 -141.58 98.71 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -60.21 116.61 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.579 HD12 ' CE2' ' D' ' 338' ' ' PHE . 4.0 tt -117.96 106.24 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' D' ' 327' ' ' TYR . 10.1 tttt -77.97 109.59 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.457 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mt -107.48 120.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 333' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 10.5 ttt-85 -100.37 36.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.457 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.36 114.83 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.471 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.21 -44.23 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.598 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.7 ttm180 -61.99 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.431 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.09 -45.59 92.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.36 -34.71 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.29 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.281 179.456 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' D' ' 341' ' ' PHE . 3.2 m-85 -61.33 -29.68 70.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.768 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -69.73 -36.89 76.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.971 0.415 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -78.13 -32.32 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.299 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' B' ' 344' ' ' LEU . 66.2 mt -76.06 -33.29 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.545 179.568 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.26 -37.82 68.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.505 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -40.24 84.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -71.17 -26.37 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.858 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.3 mp -75.98 -45.46 34.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.752 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.87 -28.47 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -31.08 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 11.3 mttm -68.46 -36.41 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.88 -36.09 80.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.64 87.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.58 -39.37 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.39 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' HE2' ' C' ' 331' ' ' LYS . 45.7 m-85 -102.78 153.0 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -144.51 89.73 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.13 152.87 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.99 111.33 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -86.63 83.59 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -70.87 131.18 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -102.4 35.76 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 334' ' ' GLY . . . . . 0.48 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.36 125.9 3.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -60.63 -66.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.76 -38.66 82.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 45.2 ttp180 -60.3 -53.44 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' C' ' 330' ' ' LEU . 7.4 t80 -62.14 -43.79 98.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.034 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.57 -32.02 66.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.376 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD12 ' D' ' 344' ' ' LEU . 5.5 ttm -67.52 -60.43 2.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.189 179.404 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 2.7 m-85 -60.42 -27.16 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -69.67 -40.6 76.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.305 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -32.27 59.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 344' ' ' LEU . 1.5 mp -74.41 -31.6 62.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.472 179.519 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -71.56 -41.98 68.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.91 -30.1 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.01 -27.77 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.035 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.717 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -79.54 -31.26 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.0 -27.61 57.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.09 -38.63 61.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.498 ' HD2' HD23 ' D' ' 348' ' ' LEU . 19.7 ptpt -68.39 -30.73 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.93 -31.52 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.13 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -89.24 -34.52 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.45 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 13.5 m-85 61.46 114.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.53 138.66 50.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 329' ' ' PHE . . . . . 0.489 ' C ' HD23 ' A' ' 330' ' ' LEU . 23.3 m-85 -109.31 151.75 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.788 HD12 HD11 ' A' ' 332' ' ' ILE . 0.3 OUTLIER -153.54 139.63 18.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 331' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 6.1 tttt -106.16 91.55 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 0.788 HD11 HD12 ' A' ' 330' ' ' LEU . 30.3 mm -72.11 125.95 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 333' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' B' ' 327' ' ' TYR . 25.0 ttp85 -98.69 32.48 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.58 128.04 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.88 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -36.62 79.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' B' ' 348' ' ' LEU . 2.2 ttm180 -58.78 -49.37 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 338' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.0 t80 -58.56 -48.6 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 179.621 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.55 -32.85 59.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -66.84 -58.46 4.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.337 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -60.19 -30.48 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.94 -39.69 87.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.9 -31.81 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.233 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.796 HD21 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.05 -30.54 62.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 179.552 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -72.69 -44.31 61.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.58 -31.26 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.801 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.67 -29.12 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -38.04 86.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.519 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 0.5 OUTLIER -61.48 -33.48 73.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.89 -32.21 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.54 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -79.81 -30.96 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.03 -63.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.436 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 7.6 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.795 0.331 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 327' ' ' TYR . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 73.6 m-85 -139.95 152.83 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 326' ' ' GLU . 40.9 m-85 -145.46 150.82 37.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 17.5 m-85 -108.43 152.2 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 338' ' ' PHE . 17.0 tp -156.39 152.75 27.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 331' ' ' LYS . . . . . 0.584 ' C ' HD12 ' B' ' 332' ' ' ILE . 5.1 tmmm? -143.75 145.59 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.584 HD12 ' C ' ' B' ' 331' ' ' LYS . 3.4 mp -145.33 149.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -98.9 31.3 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.19 118.81 2.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.31 75.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -74.41 -46.8 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 337' ' ' ARG . . . . . 0.629 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.7 ttm180 -57.74 -45.81 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 330' ' ' LEU . 9.7 t80 -60.24 -45.96 91.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.311 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.26 -35.3 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttm -65.27 -59.53 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.244 179.413 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 6.7 m-85 -59.0 -30.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.613 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -66.03 -33.83 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.015 0.436 . . . . 0.0 110.148 179.4 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.1 -27.24 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.24 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.622 ' O ' HD12 ' B' ' 348' ' ' LEU . 3.5 mp -82.09 -38.05 25.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.74 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 49.0 p30 -79.85 -24.0 41.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.63 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 346' ' ' GLU . . . . . 0.469 ' O ' HD12 ' B' ' 350' ' ' LEU . 53.1 tt0 -82.97 -33.34 26.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.566 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.62 -32.64 47.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' O ' ' B' ' 344' ' ' LEU . 2.3 mt -77.58 -34.14 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.9 -30.11 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 350' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.5 mt -73.49 -39.52 64.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -67.38 -31.11 71.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.61 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -31.7 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.72 73.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.521 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.865 0.364 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -103.97 153.0 21.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.5 126.28 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -87.69 153.0 21.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -170.92 124.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.483 ' O ' HD13 ' C' ' 332' ' ' ILE . 40.4 mtpt -88.25 143.4 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.54 HD12 ' CE1' ' C' ' 341' ' ' PHE . 27.0 mm -126.38 114.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -92.73 86.28 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.9 140.82 3.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -72.08 -43.81 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.2 -43.91 60.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' C' ' 332' ' ' ILE . 19.7 ttp180 -58.7 -51.21 70.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.635 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 7.7 t80 -62.01 -43.98 97.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.15 179.394 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.38 -32.42 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -67.34 -59.81 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.263 179.432 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' C' ' 332' ' ' ILE . 2.0 m-85 -62.89 -27.97 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.44 -38.56 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -31.2 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.317 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD12 ' C' ' 348' ' ' LEU . 44.0 mt -77.19 -29.58 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.647 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.623 ' OD1' HG23 ' D' ' 332' ' ' ILE . 53.1 t30 -76.09 -38.66 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.723 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 346' ' ' GLU . . . . . 0.644 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -73.58 -34.97 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.823 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.54 -32.71 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.765 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -74.1 -30.32 62.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -70.03 -30.02 67.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 350' ' ' LEU . . . . . 0.644 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -66.83 -43.76 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 351' ' ' LYS . . . . . 0.59 ' HD3' HD23 ' C' ' 348' ' ' LEU . 19.9 ptmt -68.84 -31.16 69.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.97 -34.46 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.49 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -30.94 48.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.74 60.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 60.77 111.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 5.4 m-85 -132.46 109.14 9.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -62.45 151.7 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 1.094 HD23 HD11 ' D' ' 332' ' ' ILE . 13.8 tp -155.77 124.48 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -109.78 92.72 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 1.094 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -90.75 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 72.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.76 120.6 0.88 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -45.09 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.22 -45.99 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.623 ' HG3' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -56.64 -45.71 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.733 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.477 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 339' ' ' GLU . . . . . 0.401 ' HA ' ' HG2' ' D' ' 342' ' ' ARG . 6.9 mm-40 -55.6 -29.02 58.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.517 ' SD ' HD13 ' C' ' 344' ' ' LEU . 31.1 ttm -71.38 -57.0 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.089 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.0 m-85 -63.84 -32.18 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.23 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -74.34 -31.97 62.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.963 0.411 . . . . 0.0 110.094 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.92 -32.11 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.147 179.167 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.13 -34.61 59.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.356 179.452 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -72.8 -39.92 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' D' ' 350' ' ' LEU . 3.7 mm-40 -72.63 -37.28 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.519 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -73.85 -30.52 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.705 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -73.66 -32.85 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.688 179.834 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.73 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 350' ' ' LEU . . . . . 0.583 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.7 OUTLIER -66.21 -42.34 88.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.26 -31.27 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.71 -38.68 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.14 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.97 -31.64 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.14 -32.7 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -152.49 131.68 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -126.55 153.07 45.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -128.39 142.85 50.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 3.7 tp -141.31 113.07 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -89.14 83.69 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -91.8 123.46 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -86.97 68.48 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.1 136.39 4.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -76.22 -47.05 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.71 -44.03 62.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 337' ' ' ARG . . . . . 0.718 ' HD3' HD13 ' B' ' 348' ' ' LEU . 17.7 ttp180 -58.39 -50.94 71.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.57 -45.52 92.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.964 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.77 -31.4 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttm -67.62 -59.93 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 341' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 332' ' ' ILE . 2.2 m-85 -61.41 -27.88 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.44 71.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.287 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.65 -32.91 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.339 179.463 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 348' ' ' LEU . 76.7 mt -75.31 -29.43 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.519 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -73.3 -41.2 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.672 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 346' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 350' ' ' LEU . 6.3 tt0 -70.42 -38.29 74.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 347' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -72.2 -31.96 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.0 mm? -71.52 -32.69 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.696 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.8 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 350' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -66.59 -37.39 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 351' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 10.5 mtpp -60.45 -35.78 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.39 -39.08 82.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.08 70.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.13 -52.47 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.34 37.35 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.509 179.965 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.823 0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 62.91 144.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -153.53 154.02 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -156.81 119.09 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 330' ' ' LEU . . . . . 0.529 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.4 pt? -115.25 142.03 47.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -99.22 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 332' ' ' ILE . . . . . 0.554 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.9 mp -93.82 130.99 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.89 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 334' ' ' GLY . . . . . 0.554 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -131.67 126.25 4.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.469 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -66.82 -41.84 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -71.85 -46.33 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -57.57 -42.87 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.73 -48.02 83.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.518 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.23 -33.68 58.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.74 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.267 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.3 -29.41 69.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.756 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -68.92 -35.06 76.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.414 . . . . 0.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.32 -32.01 38.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.323 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 344' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -77.66 -30.2 51.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.532 179.585 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -76.57 -37.85 55.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.16 -33.7 63.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.768 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.81 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 348' ' ' LEU . . . . . 0.718 HD13 ' HD3' ' A' ' 337' ' ' ARG . 3.4 mt -75.38 -31.33 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.94 -40.19 79.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -64.33 -40.16 95.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.46 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -77.47 -33.53 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.82 -58.08 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.517 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -133.26 111.1 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.26 124.7 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.32 152.41 25.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 330' ' ' LEU . . . . . 0.942 HD21 HD11 ' C' ' 332' ' ' ILE . 48.8 tp -134.05 145.25 49.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' D' ' 329' ' ' PHE . 18.2 tttt -128.28 103.76 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 332' ' ' ILE . . . . . 0.942 HD11 HD21 ' C' ' 330' ' ' LEU . 26.5 mm -97.25 127.4 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -98.82 31.57 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 334' ' ' GLY . . . . . 0.551 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.84 143.39 12.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -74.74 -46.44 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.04 -42.07 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 337' ' ' ARG . . . . . 0.683 ' HG3' HD13 ' D' ' 348' ' ' LEU . 6.2 ttm180 -57.9 -49.18 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 338' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 330' ' ' LEU . 11.0 t80 -59.28 -46.61 88.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.373 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.31 -33.12 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.3 ttp -66.73 -59.23 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 341' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' C' ' 332' ' ' ILE . 5.4 m-85 -59.51 -29.29 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.77 -35.91 81.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.199 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -32.42 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.219 179.291 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 344' ' ' LEU . . . . . 0.792 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.8 mp -74.55 -30.82 61.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.424 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 345' ' ' ASN . . . . . 0.764 ' OD1' HG23 ' D' ' 332' ' ' ILE . 9.4 t30 -73.4 -44.35 58.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.98 70.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.789 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.87 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 348' ' ' LEU . . . . . 0.792 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -75.65 -27.3 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.71 -23.04 53.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 179.711 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.07 -44.12 31.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -69.05 -27.98 66.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -30.97 65.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.17 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.28 -31.4 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.79 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -130.37 152.96 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -148.88 153.06 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 329' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' D' ' 329' ' ' PHE . 4.2 m-85 -124.69 151.22 45.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 330' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 338' ' ' PHE . 3.3 tp -153.32 114.09 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -82.28 95.8 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 332' ' ' ILE . . . . . 0.764 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.9 mt -102.18 112.5 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.72 75.68 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.11 128.58 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.424 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.11 -39.45 60.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -74.56 -47.05 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 337' ' ' ARG . . . . . 0.694 ' CG ' HD13 ' C' ' 348' ' ' LEU . 3.6 ttm180 -57.53 -43.92 84.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.64 -47.51 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.357 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -32.68 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.567 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 340' ' ' MET . . . . . 0.44 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.4 mmm -67.3 -59.37 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CD2' HD13 ' D' ' 332' ' ' ILE . 2.5 m-85 -62.58 -28.35 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -34.56 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.275 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -80.85 -32.2 35.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.228 179.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.7 mp -77.2 -30.66 54.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.36 -38.88 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.18 -31.66 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -76.9 -32.79 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 348' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.05 -31.5 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.882 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -71.75 -29.77 64.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -40.34 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' D' D ' 351' ' ' LYS . . . . . 0.524 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 0.1 OUTLIER -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.16 -32.12 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.72 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.79 -38.19 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.812 0.339 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -112.74 111.65 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.3 152.87 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.582 HD21 ' ND2' ' B' ' 345' ' ' ASN . 8.4 tp -152.38 100.72 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 329' ' ' PHE . 9.5 mttp -66.28 112.08 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.449 HG21 ' HA ' ' A' ' 338' ' ' PHE . 4.2 mt -111.66 110.87 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -95.42 93.35 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.45 141.61 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.18 -38.46 63.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -48.25 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.821 ' HD3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttp-105 -57.51 -49.53 76.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.811 ' CE2' HD13 ' B' ' 330' ' ' LEU . 7.6 t80 -63.5 -44.12 95.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.009 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.61 -31.87 66.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.412 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.2 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.4 m-85 -62.41 -27.96 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 12.7 tpt85 -72.76 -38.13 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.229 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.98 -30.75 50.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.24 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.696 HD21 ' CG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.27 -31.73 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.521 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' B' ' 332' ' ' ILE . 60.6 t30 -73.65 -44.37 57.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 350' ' ' LEU . 9.2 tt0 -72.02 -31.78 66.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.672 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.12 -30.72 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.992 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -33.99 63.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.761 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.46 -33.29 72.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.7 mm? -65.76 -37.23 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.34 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.4 -34.27 77.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.43 -36.11 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -80.17 -33.35 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.46 -62.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 61.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -129.98 97.5 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.429 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 90.1 m-85 -60.05 136.48 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.811 HD13 ' CE2' ' A' ' 338' ' ' PHE . 12.7 tp -143.27 123.22 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 139.94 40.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.418 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.8 mp -136.37 129.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.26 60.25 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.59 104.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -29.63 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -62.76 -52.54 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.15 -38.52 83.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.017 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.98 -45.29 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.373 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.01 -40.53 76.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.088 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.434 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.3 ttm -65.87 -59.59 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.879 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' B' ' 337' ' ' ARG . 7.6 m-85 -59.58 -24.39 63.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.071 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -71.44 -34.87 70.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.24 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.07 -31.37 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.364 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.665 ' CG ' HD21 ' C' ' 344' ' ' LEU . 2.4 mp -74.87 -31.5 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.575 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' HD21 ' A' ' 330' ' ' LEU . 17.8 m-20 -74.86 -42.92 56.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 350' ' ' LEU . 11.2 mt-10 -74.38 -30.42 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.711 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.513 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -78.97 -29.68 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.821 HD13 ' HD3' ' A' ' 337' ' ' ARG . 4.0 mt -78.56 -30.67 46.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -76.42 -31.42 57.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.2 mt -72.37 -32.24 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.523 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 3.1 mtpm? -67.38 -31.33 71.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -33.24 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.04 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -30.9 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 351' ' ' LYS . . . -93.39 -42.18 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.831 0.348 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -90.75 138.62 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -115.72 90.85 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 130.02 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.5 tp -131.34 108.26 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 92.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' C' ' 341' ' ' PHE . 28.9 mm -73.55 117.93 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 7.7 ttp180 -92.18 97.97 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 137.93 144.94 4.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.19 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.14 -42.6 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.525 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.28 -51.91 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CA ' HG21 ' C' ' 332' ' ' ILE . 7.3 t80 -62.46 -43.94 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.986 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -32.43 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.2 tpp -67.05 -60.17 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.204 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' C' ' 332' ' ' ILE . 4.9 m-85 -59.77 -27.42 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.79 -35.82 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.259 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.35 -31.02 38.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.36 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.1 mt -78.25 -29.56 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -77.45 -38.35 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.724 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.15 -31.97 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -78.37 -33.37 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.762 HD13 ' CG ' ' D' ' 337' ' ' ARG . 4.0 mt -75.97 -27.83 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.722 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.12 -40.48 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.575 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.4 pp -74.5 -27.57 60.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.791 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.575 ' N ' HD12 ' C' ' 350' ' ' LEU . 5.3 ttmm -76.3 -30.53 57.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.09 68.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.07 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.7 -37.75 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.01 -59.33 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.414 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 3.1 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.9 m-85 -123.74 106.12 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 11.7 m-85 -98.46 152.87 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.63 118.83 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' D' ' 332' ' ' ILE . 25.3 tp -127.28 135.38 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.91 109.2 21.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.514 HG22 ' H ' ' D' ' 334' ' ' GLY . 26.1 mm -97.05 125.07 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -98.31 31.38 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.53 120.5 2.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.91 -46.09 90.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.08 -45.77 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.762 ' CG ' HD13 ' C' ' 348' ' ' LEU . 5.4 mtm180 -56.97 -45.81 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' C' ' 330' ' ' LEU . 11.8 t80 -60.36 -48.33 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.43 -33.56 59.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -66.48 -58.34 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.5 -30.34 69.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.4 79.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.23 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -28.23 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.298 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' A' ' 344' ' ' LEU . 1.1 mp -78.53 -32.95 48.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.639 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -76.31 -36.84 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.27 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.777 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -80.18 -35.01 37.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.525 HD13 ' CD ' ' C' ' 337' ' ' ARG . 7.4 mt -78.59 -26.8 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.71 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.44 -29.33 46.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.76 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.98 -37.99 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -72.64 -31.85 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.81 -31.33 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.1 69.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -75.35 -31.54 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.41 -61.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.856 0.36 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -136.04 136.76 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' B' ' 331' ' ' LYS . 16.8 m-85 -100.58 150.06 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 332' ' ' ILE . 33.0 tp -158.43 116.28 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HD3' ' CD1' ' B' ' 327' ' ' TYR . 5.8 ttmm -107.12 84.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.768 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.8 mp -75.62 138.73 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -100.84 77.09 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.58 117.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . 0.408 ' HA ' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -59.89 -39.07 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.06 -44.11 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttm180 -58.0 -50.07 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' B' ' 328' ' ' PHE . 8.9 t80 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.275 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.28 -33.2 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.406 ' CE ' HD11 ' B' ' 348' ' ' LEU . 3.0 ttp -66.66 -59.04 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.263 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -61.34 -30.45 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.27 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.146 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.77 -31.27 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.798 ' O ' HD13 ' A' ' 348' ' ' LEU . 2.9 mp -76.47 -36.6 57.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.411 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -70.01 -37.29 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -70.7 -45.19 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.555 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -67.78 -29.31 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 344' ' ' LEU . 4.5 mp -69.29 -38.16 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.36 -31.11 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -48.06 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.87 -31.66 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.88 57.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.54 -31.84 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.22 -46.64 86.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.511 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.803 0.335 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 60.5 m-85 -83.35 153.05 24.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' A' ' 338' ' ' PHE . 79.1 m-85 -142.04 109.81 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -81.1 129.4 34.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -138.4 114.05 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 329' ' ' PHE . 30.8 mtpt -99.92 91.2 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.545 HG22 ' H ' ' B' ' 334' ' ' GLY . 4.7 mt -90.04 137.12 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.65 31.29 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.545 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.64 121.95 3.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.427 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.5 -35.72 73.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.06 -49.31 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.544 ' CG ' HD23 ' A' ' 348' ' ' LEU . 3.9 mtm180 -56.77 -46.93 81.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.744 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.577 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.3 t80 -59.44 -44.26 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.388 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.36 -36.2 63.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.0 ttm -66.05 -60.45 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.498 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.2 m-85 -59.66 -26.95 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.783 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -68.21 -37.8 81.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.157 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.93 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.276 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' C' ' 344' ' ' LEU . 14.4 mt -74.83 -29.36 61.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.768 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -74.8 -43.41 54.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.715 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.76 -32.83 65.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.78 -29.82 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 340' ' ' MET . 31.5 mt -79.06 -25.13 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.51 -35.0 35.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.549 ' C ' HD12 ' B' ' 350' ' ' LEU . 4.0 pp -78.23 -30.62 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.49 -28.65 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.04 -30.44 58.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.9 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.48 -40.58 80.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.01 -72.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.504 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 67.5 m-85 -129.74 122.84 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -120.49 110.53 16.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' D' ' 331' ' ' LYS . 6.3 m-85 -73.21 141.27 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' D' ' 338' ' ' PHE . 15.9 tp -135.37 100.08 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.425 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.5 OUTLIER -83.96 107.97 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -114.5 153.44 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.434 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 4.4 mtm180 -98.5 30.92 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.14 107.95 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.415 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -61.81 -44.16 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.69 -43.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.678 ' NE ' HD13 ' D' ' 348' ' ' LEU . 47.2 mmt-85 -56.85 -49.11 76.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.5 t80 -55.63 -44.05 76.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.18 -39.53 72.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.53 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.6 tpp -67.79 -59.45 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.006 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 5.3 m-85 -63.72 -16.67 61.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.388 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -81.75 -32.74 31.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.91 0.386 . . . . 0.0 110.227 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.02 -31.58 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.38 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 11.7 mt -77.6 -31.21 52.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -77.14 -37.44 53.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.39 -25.29 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.97 -30.34 31.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' D' ' 337' ' ' ARG . 7.7 mt -78.93 -33.54 45.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -29.27 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.726 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -30.5 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.744 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' B' ' 350' ' ' LEU . 20.0 mtpt -67.24 -33.72 75.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.68 -41.15 98.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.98 -31.36 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -42.85 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.64 58.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 60.69 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.5 m-85 -118.64 108.87 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 10.9 m-85 -75.7 111.74 11.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.87 HD23 HD11 ' D' ' 332' ' ' ILE . 15.8 tp -107.51 104.87 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.409 ' HE2' ' CD1' ' C' ' 327' ' ' TYR . 32.5 tttt -71.5 102.65 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.87 HD11 HD23 ' D' ' 330' ' ' LEU . 25.1 mm -86.11 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 10.5 ptm180 -132.49 78.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.25 127.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -60.49 -35.97 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -44.14 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.684 ' HG3' HD13 ' C' ' 348' ' ' LEU . 2.5 ttm180 -57.36 -48.02 80.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD13 ' C' ' 330' ' ' LEU . 11.4 t80 -59.87 -47.12 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.378 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.46 -32.62 62.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.3 ttm -67.06 -59.12 3.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CE1' HD12 ' D' ' 332' ' ' ILE . 3.7 m-85 -61.53 -29.94 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -34.8 74.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.137 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.71 -31.57 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.73 ' O ' HD12 ' D' ' 348' ' ' LEU . 81.0 mt -75.66 -30.45 59.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.538 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.47 -43.02 51.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.54 -30.16 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.51 -27.11 51.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.73 HD12 ' O ' ' D' ' 344' ' ' LEU . 3.0 mt -77.07 -38.08 53.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.97 -23.66 58.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.49 -34.5 58.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.555 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 14.7 ptpt -75.36 -30.79 60.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.48 -31.94 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.55 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.58 -32.1 70.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.61 -63.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.441 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 4.2 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.827 0.346 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 6.5 m-85 -137.25 105.27 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.428 ' CE2' ' HE3' ' B' ' 331' ' ' LYS . 78.8 m-85 -71.14 152.91 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' B' ' 338' ' ' PHE . 11.9 tp -155.64 110.71 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.448 ' CG ' ' CE2' ' B' ' 329' ' ' PHE . 3.8 mtmp? -71.64 83.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' B' ' 330' ' ' LEU . 3.9 mt -79.23 120.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttp-105 -92.65 129.65 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 117.37 142.29 7.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -36.22 56.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.8 -45.48 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HD3' HD13 ' B' ' 348' ' ' LEU . 19.1 ttp180 -58.33 -50.4 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -62.88 -44.17 96.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.119 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.6 -31.73 66.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.46 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.646 ' CE ' HD22 ' B' ' 344' ' ' LEU . 8.3 mtp -67.65 -59.25 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.315 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.7 m-85 -63.47 -28.05 69.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -74.32 -37.99 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.367 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.52 -32.51 48.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.446 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -28.37 48.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.584 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -77.18 -36.57 54.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.727 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.64 -36.36 60.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.716 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.54 56.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' B' ' 340' ' ' MET . 25.4 mt -77.23 -30.82 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.96 -30.44 63.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -37.09 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.547 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 2.5 ttmm -63.6 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.39 -33.04 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.56 62.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -73.73 -34.08 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.06 -31.28 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.868 0.366 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.1 106.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.8 m-85 -110.78 104.55 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 331' ' ' LYS . 57.0 m-85 -61.15 142.93 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.544 HD22 HG13 ' B' ' 332' ' ' ILE . 1.4 tt -141.84 109.76 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 329' ' ' PHE . 0.8 OUTLIER -79.08 83.97 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.544 HG13 HD22 ' B' ' 330' ' ' LEU . 4.5 mt -80.43 106.55 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 77.48 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.52 133.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.28 -38.94 65.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.06 -45.53 63.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -46.78 82.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.9 t80 -58.47 -45.87 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.94 -36.68 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.453 ' HE1' HD11 ' A' ' 348' ' ' LEU . 1.4 ttp -65.76 -59.87 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.156 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.7 m-85 -60.48 -27.58 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.94 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.134 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.46 -31.26 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.195 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.814 HD21 ' HG ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -75.91 -31.02 58.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.467 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.34 -42.02 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.79 -31.13 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.86 -31.15 59.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.045 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.4 mt -74.44 -35.26 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.1 -27.71 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.781 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -72.49 -43.21 63.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -65.98 -30.69 71.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.2 -32.17 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.01 -32.43 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.75 -31.52 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.85 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 18.6 m-85 -88.88 150.27 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -140.75 93.58 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.58 130.78 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' C' ' 332' ' ' ILE . 22.7 tp -132.99 132.09 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -110.3 120.26 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.545 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.7 mp -130.82 137.86 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -98.47 34.26 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.73 135.86 12.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -75.18 -67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.79 -39.12 83.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' D' ' 348' ' ' LEU . 20.1 ttp180 -59.63 -52.41 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.4 t80 -61.28 -45.4 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.104 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.87 -31.8 65.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.11 -59.62 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.466 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 2.0 m-85 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.766 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.29 -37.19 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.64 -31.36 41.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.814 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -77.42 -30.17 53.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.539 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -76.28 -39.3 54.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.747 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.1 mt-10 -72.16 -31.81 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -74.07 -36.5 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.751 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.6 mm? -70.96 -33.03 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.89 -30.84 70.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.747 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.6 mm? -68.96 -47.48 65.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.6 OUTLIER -62.65 -31.02 71.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.3 -33.26 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.38 -31.16 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -88.68 -34.0 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.6 -67.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.879 0.371 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -158.22 152.92 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 9.1 m-85 -140.08 92.05 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.53 149.49 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' D' ' 332' ' ' ILE . 6.8 tp -142.09 116.5 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -110.99 106.92 16.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.1 mt -120.61 150.53 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -104.23 36.85 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.97 127.9 6.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -75.21 -47.11 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.56 -38.58 74.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.8 OUTLIER -60.08 -52.58 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.236 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.6 -35.69 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -66.08 -60.11 3.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.177 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.6 -26.81 65.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -66.82 -36.68 82.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.181 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.03 -34.19 57.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.651 ' O ' HD12 ' D' ' 348' ' ' LEU . 53.4 mt -73.83 -29.43 62.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.559 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -73.52 -42.58 61.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -72.13 -33.73 68.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -76.48 -30.4 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.015 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' C' ' 337' ' ' ARG . 4.2 mt -76.24 -30.51 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -73.1 -30.06 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.77 -35.78 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.03 -35.18 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -81.28 -32.58 33.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -87.44 -31.93 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.534 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CD2' ' HE2' ' B' ' 331' ' ' LYS . 84.4 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -146.01 92.03 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.41 141.07 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 332' ' ' ILE . 16.5 tp -159.67 123.37 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -86.83 121.44 29.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 330' ' ' LEU . 25.2 mm -105.13 142.33 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.21 101.56 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 151.21 122.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -58.94 -44.06 91.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.59 -47.03 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.18 -45.24 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.864 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.53 64.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.379 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttm -67.08 -61.04 2.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 344' ' ' LEU . 5.2 m-85 -59.63 -27.74 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -38.72 79.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.223 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.18 -32.27 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.213 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' D' ' 344' ' ' LEU . 8.2 mt -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.497 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.94 -43.78 52.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.85 -31.41 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.454 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -77.29 -31.11 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -76.24 -30.37 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -73.69 -31.14 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.12 -34.05 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.1 -32.04 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -66.05 -35.97 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.45 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -73.03 -31.91 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.11 -53.71 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.4 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.92 152.91 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 13.9 m-85 -149.93 111.06 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.42 139.02 57.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -152.19 145.36 24.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.433 ' HE2' ' CD2' ' A' ' 327' ' ' TYR . 3.7 ptmm? -108.63 146.4 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -124.66 122.54 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.5 ttm105 -97.43 37.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.41 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.59 120.8 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -46.92 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -69.18 -44.1 72.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.6 ttm180 -58.14 -42.87 86.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.28 -48.2 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -53.92 -35.26 61.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.5 -57.61 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.386 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.8 m-85 -59.85 -30.67 69.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -35.29 80.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.153 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -32.47 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.308 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.825 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -74.25 -31.37 62.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.555 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -73.66 -42.14 61.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.83 -29.8 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.3 -31.32 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -74.28 -38.88 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.84 -29.72 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -32.31 67.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 11.1 mttt -71.33 -38.04 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.45 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.83 -32.61 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.47 76.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 58.1 m-85 -103.3 118.98 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -104.19 136.56 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -100.34 147.87 25.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.714 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -148.94 109.34 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.41 105.46 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.714 HD11 HD23 ' C' ' 330' ' ' LEU . 3.9 mp -111.83 142.89 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 36.83 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 126.99 5.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -69.12 -47.33 65.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.36 -41.82 69.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.847 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.39 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.6 -43.73 98.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.083 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -57.31 -32.39 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.357 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.1 -60.75 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.211 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -61.67 -28.39 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -70.52 -33.6 71.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.204 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.19 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.213 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.693 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -76.78 -32.02 57.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.499 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' D' ' 332' ' ' ILE . 17.4 t30 -75.28 -39.96 59.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.658 ' O ' HD12 ' C' ' 350' ' ' LEU . 19.4 tp10 -73.64 -34.08 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.75 -33.14 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.2 mt -73.35 -30.98 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -68.59 -30.88 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.1 -45.89 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.26 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.07 -34.72 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.23 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -70.1 -36.53 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.76 32.11 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -87.9 151.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -147.42 87.92 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.74 151.73 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.914 HD23 HD11 ' D' ' 332' ' ' ILE . 13.1 tp -152.22 116.0 4.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -106.42 85.97 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.914 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mt -81.95 140.29 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 8.2 ptm180 -98.3 35.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.36 131.62 6.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.66 -41.44 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -75.46 -47.38 27.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.593 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -56.99 -45.92 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.0 -46.96 88.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -33.4 63.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.85 -58.35 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.307 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.25 -29.76 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -69.04 -36.85 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.277 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.1 -31.36 44.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.335 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.62 -29.79 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -75.94 -40.21 54.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.28 -33.26 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -31.68 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.847 HD13 ' HD3' ' C' ' 337' ' ' ARG . 5.5 mt -74.45 -31.93 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.12 -30.2 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.56 -37.07 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.6 OUTLIER -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.84 -35.73 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.88 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -32.61 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.498 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 30.8 m-85 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.69 102.2 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -64.61 152.51 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 332' ' ' ILE . 45.3 tp -158.85 120.98 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -102.6 112.99 25.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.7 mp -116.91 140.55 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -98.51 31.12 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -116.55 113.63 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -68.22 -41.58 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.31 -54.51 7.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -55.92 -39.09 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.92 -47.17 84.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.43 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -34.56 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.5 ttp -66.38 -57.67 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.82 -30.14 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -68.1 -39.93 82.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.231 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -76.83 -32.12 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.237 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.025 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.55 -30.11 61.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.557 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -42.82 62.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.707 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.612 ' O ' HD23 ' A' ' 350' ' ' LEU . 18.7 tt0 -72.18 -31.13 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.94 -32.0 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 351' ' ' LYS . 2.0 mm? -75.05 -30.95 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -77.97 -31.38 50.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -78.11 -36.12 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -76.77 -29.23 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.91 -30.82 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.34 54.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -76.35 -31.65 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.57 -44.72 23.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.48 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 60.76 111.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -122.5 110.32 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -82.54 152.93 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.1 tp -154.67 139.52 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -103.97 93.78 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.7 mp -75.93 106.65 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 4.4 ttm-85 -91.59 75.97 5.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 146.68 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -75.91 -56.88 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.08 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 1.3 ttp85 -60.24 -53.16 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.55 ' CA ' HG21 ' B' ' 332' ' ' ILE . 7.6 t80 -61.68 -44.38 97.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.012 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.1 -31.78 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.325 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.629 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -66.98 -60.98 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.158 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.89 -28.63 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -68.09 -34.44 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.973 0.416 . . . . 0.0 110.216 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -80.45 -32.18 37.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.35 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mp -76.37 -29.95 57.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.517 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -76.11 -40.78 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.712 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.08 -31.48 64.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.05 -31.25 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -74.39 -34.91 63.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -69.76 -31.13 68.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.41 -39.38 81.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.41 -37.52 83.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.52 -32.88 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.14 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.21 -47.79 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.818 0.342 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 62.06 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -153.35 92.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.26 136.31 55.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' C' ' 332' ' ' ILE . 13.3 tp -137.85 100.42 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -67.57 97.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' C' ' 330' ' ' LEU . 25.4 mm -85.16 114.48 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -92.36 48.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.27 117.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -59.97 -41.33 91.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.327 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -50.99 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.53 -41.43 76.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD12 ' D' ' 330' ' ' LEU . 12.1 t80 -62.21 -48.24 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.4 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.6 -33.48 60.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -66.61 -57.87 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.22 -30.53 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.239 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -78.57 -32.15 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.23 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.818 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.2 mp -75.15 -31.02 60.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -73.17 -42.39 62.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.85 -31.47 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.93 -31.62 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.995 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.818 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.39 -39.37 68.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.796 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -66.43 -31.07 71.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.11 -42.65 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -60.17 -31.7 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.32 -38.37 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.18 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.5 -44.0 22.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.57 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 60.21 106.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 5.6 m-85 -122.7 95.63 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' C' ' 331' ' ' LYS . 95.6 m-85 -59.75 126.6 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.647 HD12 ' CE2' ' C' ' 338' ' ' PHE . 4.2 tt -128.71 104.29 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -80.71 124.14 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.54 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -119.08 130.16 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 31.09 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.24 115.2 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.1 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.92 -54.77 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.97 -37.51 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.71 -47.91 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.336 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.07 -32.96 62.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.1 ttm -67.03 -57.8 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.86 -30.41 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.27 -37.59 77.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.186 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.21 -31.36 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.238 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.42 -30.53 57.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.51 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.36 -31.74 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.34 -32.68 64.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.77 -39.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.56 -30.18 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.08 -45.08 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.777 ' HD3' HD13 ' D' ' 348' ' ' LEU . 6.4 ptmm? -70.67 -30.29 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.82 -31.01 56.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.4 -31.01 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -31.72 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.38 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.502 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE2' ' HG2' ' B' ' 333' ' ' ARG . 70.9 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.846 0.355 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -151.39 89.48 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -95.46 135.84 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.578 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.8 pt? -137.28 138.95 40.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.411 ' HB3' ' CZ ' ' B' ' 329' ' ' PHE . 7.6 ptpp? -63.07 115.84 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' B' ' 330' ' ' LEU . 2.0 mt -107.47 105.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -84.56 75.17 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.62 114.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -60.08 -49.73 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.25 -42.31 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.8 ttm180 -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.2 t80 -59.87 -48.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.28 -33.28 58.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.73 -58.53 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -59.06 -29.77 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -65.47 -40.31 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.117 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -31.8 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.11 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 1.003 HD22 HD11 ' D' ' 344' ' ' LEU . 63.8 mt -73.59 -29.81 62.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.396 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.818 ' OD1' HG23 ' B' ' 332' ' ' ILE . 1.4 t30 -72.97 -46.58 51.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.11 -32.39 68.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.8 -30.07 61.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.805 HD13 ' HD2' ' A' ' 351' ' ' LYS . 2.2 mm? -72.53 -37.77 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.741 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -69.5 -29.85 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.93 -44.61 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.805 ' HD2' HD13 ' A' ' 348' ' ' LEU . 17.3 ptpt -69.5 -29.22 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.92 -31.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.02 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.02 -38.72 44.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.31 -59.67 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 9.5 pt-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -90.67 134.12 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.9 m-85 -110.34 93.03 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 331' ' ' LYS . 8.6 m-85 -59.88 142.44 53.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.885 HD23 HD11 ' B' ' 332' ' ' ILE . 6.8 tp -136.81 117.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -88.5 123.56 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.885 HD11 HD23 ' B' ' 330' ' ' LEU . 5.1 mt -127.67 133.29 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HG2' ' CE2' ' A' ' 327' ' ' TYR . 3.5 mtt85 -95.99 69.01 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.53 1.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -36.62 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.38 -46.34 55.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.35 -44.4 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.732 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.578 ' CE1' HD22 ' A' ' 330' ' ' LEU . 11.9 t80 -60.23 -47.55 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.58 -34.04 61.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttm -66.49 -58.68 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.279 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.648 ' CD1' HD13 ' B' ' 332' ' ' ILE . 4.0 m-85 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -67.1 -38.03 84.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.406 . . . . 0.0 110.17 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -78.76 -31.42 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.283 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.813 HD22 HD21 ' C' ' 344' ' ' LEU . 7.0 mt -77.3 -28.65 53.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.628 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -76.92 -39.15 51.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.669 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -73.49 -33.09 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.27 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.0 mm? -74.29 -34.85 63.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.58 -30.85 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -34.07 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 ttmt -65.27 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.75 -39.63 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.76 -31.47 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.87 -31.44 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -61.86 -31.15 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -85.61 119.0 25.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -106.32 96.16 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.27 112.67 4.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.474 HD23 HD11 ' C' ' 332' ' ' ILE . 18.1 tp -123.35 131.13 53.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' D' ' 329' ' ' PHE . 2.9 ptmm? -98.39 112.0 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.474 HD11 HD23 ' C' ' 330' ' ' LEU . 26.7 mm -97.69 133.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.431 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.86 116.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.93 -46.14 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.74 -45.16 53.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.752 ' CG ' HD13 ' D' ' 348' ' ' LEU . 18.3 mtm-85 -57.52 -45.13 85.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' D' ' 330' ' ' LEU . 11.3 t80 -60.64 -48.26 82.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.58 -33.46 60.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 mtp -66.76 -57.93 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.343 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.6 m-85 -61.05 -31.09 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.71 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -69.36 -41.96 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.65 -30.6 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.023 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.813 HD21 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.04 -42.3 60.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.302 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -68.44 -38.54 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.668 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.725 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -73.28 -28.18 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.077 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' C' ' 344' ' ' LEU . 4.1 mt -81.4 -25.74 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -27.65 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' C' ' 347' ' ' ALA . 1.5 pp -76.75 -37.12 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.475 ' HD2' HD23 ' C' ' 348' ' ' LEU . 2.5 ptpt -75.74 -30.65 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -75.68 -30.51 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.9 65.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.71 -44.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.25 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 60.72 111.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.2 m-85 -129.63 128.72 43.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' C' ' 331' ' ' LYS . 45.2 m-85 -85.72 121.89 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.642 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 11.7 tp -124.7 129.89 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 84.17 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.608 HD12 ' CE2' ' D' ' 341' ' ' PHE . 29.6 mm -70.58 92.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -73.01 78.15 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.34 122.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -61.83 -38.71 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -49.64 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.67 -43.42 80.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' D' ' 332' ' ' ILE . 11.2 t80 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -54.6 -34.51 62.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.602 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -66.24 -59.2 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' D' ' 332' ' ' ILE . 3.2 m-85 -61.88 -29.86 70.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -70.9 -37.47 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.81 -29.65 40.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.96 -30.97 56.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.529 179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -75.84 -40.76 54.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -31.52 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -77.23 -32.59 55.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.0 mt -74.64 -31.15 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.84 -30.56 67.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.6 -38.51 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.86 70.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.66 -31.74 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.72 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -80.13 -39.09 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.84 31.06 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.805 0.336 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -125.77 117.36 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.02 122.19 17.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 332' ' ' ILE . 11.5 tp -117.89 152.12 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -136.1 125.65 25.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -122.26 126.34 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 6.6 ptm180 -98.59 33.36 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.505 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.71 139.68 9.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.54 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.0 -38.25 79.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.622 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.82 -50.57 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.803 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.03 -46.84 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.57 -32.7 63.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.97 -58.89 4.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.1 m-85 -60.61 -29.47 69.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.79 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.223 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.51 -31.96 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.32 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 348' ' ' LEU . 76.6 mt -77.3 -29.1 53.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.36 -39.51 47.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.72 -31.9 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.32 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.29 -30.95 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.77 -30.81 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.44 -34.6 76.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -39.07 93.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -33.25 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.22 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -70.91 -32.62 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.97 64.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.816 0.341 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -106.1 150.68 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -137.87 152.85 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 331' ' ' LYS . 5.4 m-85 -120.37 152.95 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -164.41 104.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -87.35 97.73 10.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -84.88 141.68 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.53 32.65 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.15 117.08 2.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -62.55 -47.18 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.74 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.1 ttm180 -57.67 -48.27 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.0 t80 -59.92 -46.14 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.38 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -33.43 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttm -66.76 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.239 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' B' ' 344' ' ' LEU . 4.5 m-85 -59.83 -29.02 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.28 -35.22 79.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.198 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.24 -31.49 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.023 HD22 HD11 ' C' ' 344' ' ' LEU . 11.4 mt -77.17 -29.49 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.579 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -77.22 -39.48 48.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.709 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.419 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -74.85 -31.21 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.51 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -77.03 -32.39 56.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.419 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.4 mt -71.36 -31.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.547 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.32 -32.2 73.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.4 -33.69 76.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.28 -32.06 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . 0.676 ' OE1' HD21 ' C' ' 350' ' ' LEU . 5.0 mt-30 -77.4 -33.97 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.52 -58.17 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.543 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' D' ' 333' ' ' ARG . 8.2 m-85 60.62 84.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' D' ' 338' ' ' PHE . 1.5 p90 -150.5 131.33 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -93.88 154.57 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -128.72 125.85 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -60.61 108.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.64 98.14 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -73.86 93.12 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.1 127.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -60.84 -62.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -59.1 -34.69 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.55 -54.5 42.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.57 -43.32 99.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.046 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.98 -32.08 67.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.271 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.1 mtp -67.51 -61.01 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.58 -26.29 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -75.12 -39.08 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.277 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.66 -32.56 53.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.252 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.023 HD11 HD22 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -75.26 -30.39 60.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.461 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.71 -42.23 64.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.558 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.75 -38.64 80.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -70.47 -36.01 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.2 mm? -67.62 -31.84 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -34.35 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.676 HD21 ' OE1' ' B' ' 354' ' ' GLN . 0.6 OUTLIER -61.95 -44.79 96.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -59.52 -31.54 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -38.38 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.51 -31.19 65.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -74.92 -32.1 61.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.22 31.97 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 5.7 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -107.41 152.91 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 10.6 m-85 -132.11 93.01 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -85.67 139.46 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.9 tp -127.6 132.78 49.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -69.12 113.48 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mm -109.44 87.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' C' ' 327' ' ' TYR . 0.5 OUTLIER -73.47 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.812 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.69 113.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -57.21 -29.72 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.41 -59.59 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.657 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.642 ' CD2' HD22 ' C' ' 330' ' ' LEU . 7.8 t80 -62.02 -45.3 94.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.3 -35.59 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.43 -59.64 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.245 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.73 ' HA ' HD12 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.71 -28.92 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.13 84.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -77.18 -35.45 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.19 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.803 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.1 mt -71.43 -27.95 63.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.375 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -73.23 -47.85 39.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.47 -30.77 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.16 -31.09 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.803 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -76.2 -34.87 59.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -73.88 -31.2 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.79 -31.53 64.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.561 ' NZ ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -68.87 -32.08 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.33 -33.28 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.19 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.14 -31.74 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.83 -30.93 45.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 14.0 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -87.16 152.34 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -105.59 145.91 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.702 HD13 ' CE2' ' B' ' 338' ' ' PHE . 13.8 tp -161.6 126.52 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.64 92.76 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.582 HD11 HD23 ' A' ' 330' ' ' LEU . 28.1 mm -74.46 132.3 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.71 31.12 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -130.67 131.51 6.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -69.12 -53.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.63 -42.75 67.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -47.13 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -59.34 -46.98 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.495 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -54.96 -34.89 63.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.96 -58.38 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.261 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.43 ' HA ' HD12 ' A' ' 344' ' ' LEU . 2.3 m-85 -62.7 -28.85 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -36.76 74.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.139 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.43 -34.27 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.987 HD22 HD11 ' D' ' 344' ' ' LEU . 16.1 mt -71.84 -34.98 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -67.54 -42.66 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.43 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.8 -45.46 78.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.57 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.627 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' HG2' ' B' ' 337' ' ' ARG . 8.9 tp -67.71 -39.51 84.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.44 -36.54 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.94 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 4.3 ttmt -60.2 -34.94 74.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -39.76 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.83 -31.06 69.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -112.32 28.66 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.95 -37.29 10.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.52 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.9 mp0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.96 89.93 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 21.5 m-85 -72.51 116.89 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.05 130.09 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 330' ' ' LEU . 8.9 tp -143.19 142.17 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -106.76 88.66 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -73.24 119.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.438 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -93.93 106.98 18.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 139.33 145.48 4.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.93 -64.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.18 -36.28 75.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.766 ' HG2' HD22 ' A' ' 348' ' ' LEU . 7.8 tpt180 -60.11 -52.65 64.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.1 t80 -61.37 -46.27 90.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.035 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.37 -31.85 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.414 ' HG2' HD12 ' B' ' 344' ' ' LEU . 35.3 ttm -66.67 -60.01 3.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.218 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -62.47 -30.13 71.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.39 -37.72 65.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.209 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.15 -30.08 43.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.189 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.32 -30.79 60.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.527 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -75.2 -43.48 51.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -31.15 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -79.0 -30.72 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.789 HD21 ' OE1' ' C' ' 343' ' ' GLU . 16.7 mt -76.47 -29.76 57.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.84 -33.3 68.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.42 -34.99 79.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.42 -35.13 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.35 -34.39 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.01 68.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -85.76 -53.66 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.29 123.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.16 153.53 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' D' ' 331' ' ' LYS . 3.5 m-85 -110.13 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.8 tp -160.0 134.8 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.431 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -95.29 86.89 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.551 HG23 HD21 ' D' ' 345' ' ' ASN . 3.7 mp -76.34 151.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -115.27 148.9 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 144.15 8.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -44.92 52.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.37 -36.36 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.655 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.59 -55.44 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.87 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.1 t80 -60.88 -41.66 96.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.22 -32.75 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.508 ' HE3' HD21 ' D' ' 344' ' ' LEU . 0.0 OUTLIER -67.8 -61.2 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.156 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.465 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.1 m-85 -62.72 -25.6 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.5 67.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . 0.789 ' OE1' HD21 ' B' ' 348' ' ' LEU . 3.9 tm-20 -80.15 -33.5 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.329 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.803 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.25 -30.52 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.465 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.12 -39.71 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.411 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.0 pt-20 -72.24 -34.35 68.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.99 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' D' ' 337' ' ' ARG . 20.9 mt -71.35 -39.4 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -33.79 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.411 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.5 mm? -65.85 -38.79 89.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.8 mttp -59.98 -36.38 77.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.61 -31.05 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.48 -43.99 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -29.38 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.4 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.529 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 59.98 106.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.94 113.16 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 13.3 m-85 -70.73 135.52 48.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 1.04 HD23 HD11 ' D' ' 332' ' ' ILE . 17.8 tp -134.68 126.04 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -87.29 83.8 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 1.04 HD11 HD23 ' D' ' 330' ' ' LEU . 32.2 mm -70.16 128.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.78 74.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.23 134.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -36.44 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.58 -53.04 17.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' C' ' 348' ' ' LEU . 15.1 ptp180 -56.14 -47.32 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.81 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.401 ' CZ ' ' HD3' ' D' ' 342' ' ' ARG . 4.9 t80 -59.01 -40.85 86.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.313 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.07 77.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.69 -53.81 51.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.473 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.9 m-85 -59.43 -36.01 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.704 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HD3' ' CZ ' ' D' ' 338' ' ' PHE . 1.1 tpt180 -62.78 -40.41 97.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.09 -30.36 55.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.31 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.01 -30.56 58.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.551 HD21 HG23 ' C' ' 332' ' ' ILE . 3.8 m-20 -74.45 -40.89 61.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.455 ' O ' HD12 ' D' ' 350' ' ' LEU . 18.1 mt-10 -75.76 -26.84 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -83.02 -30.98 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.749 HD23 ' HD3' ' D' ' 351' ' ' LYS . 5.5 mt -81.57 -28.12 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -27.46 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.455 HD12 ' O ' ' D' ' 346' ' ' GLU . 3.0 mt -79.11 -32.16 44.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.749 ' HD3' HD23 ' D' ' 348' ' ' LEU . 17.6 ptmt -75.65 -31.48 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.76 -32.06 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.65 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.99 -36.74 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.34 74.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.79 0.328 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -103.41 88.33 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -93.95 147.6 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 330' ' ' LEU . 1.9 pt? -153.11 145.34 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -77.5 121.46 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.455 HD12 HD21 ' B' ' 345' ' ' ASN . 25.4 mm -103.96 90.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.9 79.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.36 142.83 3.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -76.11 -66.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.87 -38.63 82.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.458 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 33.6 ttp180 -59.96 -52.84 63.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 8.2 t80 -62.15 -45.09 94.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.976 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.08 -31.45 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.364 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.457 ' CE ' HD22 ' B' ' 344' ' ' LEU . 11.2 ttp -67.54 -59.9 2.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.458 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.75 -28.05 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -71.6 -40.53 69.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.26 -33.01 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.291 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.76 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.44 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -71.88 -41.96 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.714 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -32.47 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.95 -31.0 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -38.59 67.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.32 -31.59 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.87 -36.76 78.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -33.77 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -31.23 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -80.22 -30.74 38.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . 0.714 ' OE1' ' HB2' ' A' ' 355' ' ' ALA . 0.0 OUTLIER -88.83 -30.25 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.714 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . . . -123.17 -57.49 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.37 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.7 m-85 -110.08 100.75 9.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.35 147.32 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.667 HD23 HD11 ' B' ' 332' ' ' ILE . 13.7 tp -148.34 127.56 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -102.96 84.79 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.667 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -91.74 118.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -93.53 47.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.33 117.98 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.96 -57.16 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.81 -41.73 87.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.97 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.797 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.45 ' CE1' HD22 ' A' ' 330' ' ' LEU . 10.1 t80 -58.69 -46.02 88.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.63 -34.73 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -59.47 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.21 -28.89 67.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -36.24 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.408 . . . . 0.0 110.095 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -32.42 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.267 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -73.52 -30.48 63.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.467 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.455 HD21 HD12 ' A' ' 332' ' ' ILE . 25.4 m-80 -73.66 -44.97 55.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.733 ' O ' HD23 ' B' ' 350' ' ' LEU . 7.1 mt-10 -71.84 -30.7 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.437 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -77.24 -31.86 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.5 mt -75.29 -30.67 60.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -72.06 -31.0 65.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.733 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -66.99 -37.73 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 mtpt -60.44 -31.24 70.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -72.1 -36.27 69.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.12 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -87.36 -31.59 20.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -59.97 -33.21 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 61.16 112.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.69 109.79 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.18 111.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.6 tp -108.5 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -77.81 120.68 23.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mt -126.44 142.17 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 33.6 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.99 117.69 1.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -64.7 -40.26 95.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.0 -38.32 66.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.42 57.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.563 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.4 t80 -58.15 -41.36 83.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.305 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -55.93 -35.9 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -66.31 -60.98 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.059 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.454 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -60.27 -26.82 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -68.13 -33.31 74.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.115 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.44 -32.55 42.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' B' ' 344' ' ' LEU . 1.1 mt -75.96 -32.29 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -73.05 -40.28 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.94 -40.21 65.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.99 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD2' ' D' ' 337' ' ' ARG . 8.5 tp -72.42 -36.8 68.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.82 -37.13 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.61 -34.95 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 5.8 mmtp -61.14 -31.62 71.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.93 -37.24 87.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.13 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -115.63 31.64 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.4 -33.72 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.486 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.838 0.352 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 60.51 110.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -122.6 152.88 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.405 ' CE2' ' HD3' ' C' ' 331' ' ' LYS . 7.6 m-85 -106.59 146.49 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' C' ' 338' ' ' PHE . 65.0 tp -148.46 100.73 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -77.64 110.23 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' D' ' 330' ' ' LEU . 25.0 mm -95.1 117.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -81.92 79.41 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 155.93 138.98 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -34.34 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.29 -46.12 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD22 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -57.71 -48.66 78.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.16 -45.36 94.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -33.23 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.361 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttp -66.45 -60.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.048 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.2 m-85 -61.08 -29.61 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.888 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -71.24 -34.98 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.189 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.54 -29.85 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.25 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.573 HD11 ' HG ' ' A' ' 344' ' ' LEU . 3.8 tp -76.39 -29.82 57.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -77.52 -42.22 36.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.15 -28.71 57.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.763 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.93 -28.0 35.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.53 HD12 ' O ' ' D' ' 344' ' ' LEU . 10.0 mt -78.49 -33.56 48.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -72.2 -29.18 63.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.18 -35.36 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.642 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 13.0 mttm -60.51 -37.01 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -39.11 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -34.18 75.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.39 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.8 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.489 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.838 0.351 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 5.4 m-85 -109.04 152.97 24.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -130.69 124.58 31.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.74 131.74 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HG3' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -81.97 99.12 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.666 HD12 HD21 ' B' ' 345' ' ' ASN . 28.3 mm -79.0 99.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.1 78.5 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.91 132.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.94 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.61 -57.1 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.6 ptp85 -56.4 -41.5 76.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' B' ' 330' ' ' LEU . 3.8 t80 -63.28 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.343 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.85 -39.83 78.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.745 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.3 mtp -63.69 -55.39 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.458 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -61.09 -31.35 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -40.24 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.278 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.51 -30.53 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.235 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.38 -28.77 52.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.6 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.62 -39.87 51.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -31.87 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.66 -30.56 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' B' ' 337' ' ' ARG . 19.1 mt -78.37 -28.44 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.77 -31.74 59.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.46 -31.74 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.604 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -70.37 -31.72 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.71 -33.83 76.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.02 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.76 -51.39 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.99 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 60.88 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -123.64 101.24 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.432 ' CE1' ' HG3' ' A' ' 331' ' ' LYS . 6.1 m-85 -60.26 125.49 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 338' ' ' PHE . 7.7 tt -129.91 107.51 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 139.38 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.34 119.93 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -92.94 48.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.1 130.54 2.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -68.07 -41.53 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.73 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -48.13 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.731 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.28 -46.93 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.417 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.06 -33.31 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttm -67.14 -59.18 3.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 3.9 m-85 -60.33 -28.35 68.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.72 -36.13 80.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.208 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.51 -32.49 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.281 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' C' ' 344' ' ' LEU . 74.1 mt -76.54 -28.97 56.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.666 HD21 HD12 ' A' ' 332' ' ' ILE . 12.8 m-20 -76.04 -40.52 53.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.01 -32.94 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 337' ' ' ARG . 10.8 mt -74.65 -34.13 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.54 -31.49 68.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.8 -35.57 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.82 -33.62 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.71 -36.81 85.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -75.0 -32.57 61.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.69 -69.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.84 120.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 3.1 m-85 -129.1 147.3 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' D' ' 331' ' ' LYS . 6.6 m-85 -105.43 136.58 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.8 tp -135.93 105.83 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -81.66 86.14 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.7 mt -85.39 141.7 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 135.3 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 109.87 135.9 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -73.61 -32.84 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.331 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.07 -42.93 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.723 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.99 -51.26 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.27 -43.33 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.26 -34.39 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 tpp -66.76 -61.03 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HD1' HD13 ' C' ' 332' ' ' ILE . 4.4 m-85 -60.45 -27.02 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.772 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -69.74 -36.04 75.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.253 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.83 -31.81 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.342 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' B' ' 344' ' ' LEU . 77.8 mt -75.34 -29.89 60.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.574 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -74.99 -42.42 57.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.93 -32.84 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.82 -30.76 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.65 -35.77 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.791 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -68.45 -31.48 70.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.28 -38.83 85.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -60.31 -33.54 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.79 -31.78 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.54 -32.69 62.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.22 -68.81 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.487 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -81.64 143.78 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 66.6 m-85 -136.46 118.92 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -78.07 112.26 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.3 tp -107.42 107.14 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' C' ' 329' ' ' PHE . 4.4 mtmt -91.17 104.64 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.485 HG23 ' HE ' ' D' ' 337' ' ' ARG . 3.7 mp -98.12 139.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -99.69 34.35 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.53 142.53 11.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -33.69 58.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.03 -48.09 12.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.485 ' HE ' HG23 ' D' ' 332' ' ' ILE . 14.6 ttp-105 -57.16 -48.28 79.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.707 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.634 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.1 t80 -64.59 -45.54 86.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.984 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.15 -30.72 64.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.356 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.521 ' HG2' HD12 ' D' ' 344' ' ' LEU . 5.3 ttm -67.71 -60.93 2.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.218 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 2.6 m-85 -61.29 -27.58 68.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -71.34 -40.61 70.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.231 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -77.2 -31.64 55.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.589 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -75.76 -39.77 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -31.08 60.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.737 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.81 -31.11 45.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.787 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -77.4 -30.09 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.52 -30.91 63.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.56 76.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.55 -35.38 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.15 -41.03 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.76 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -78.97 -41.48 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.53 -41.9 75.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.46 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' HG3' ' B' ' 333' ' ' ARG . 8.1 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.82 0.343 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.09 104.7 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.27 141.01 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 332' ' ' ILE . 3.3 tp -151.94 104.55 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 1.2 ttmp? -87.29 106.82 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -115.45 116.05 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' B' ' 327' ' ' TYR . 19.0 ptt85 -78.03 -30.77 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.29 114.24 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -60.11 -37.35 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -74.62 -52.95 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -56.28 -42.57 77.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.705 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.29 -45.53 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.01 -35.4 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.588 ' O ' HD12 ' A' ' 344' ' ' LEU . 32.5 mtm -67.05 -56.25 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.5 m-85 -65.3 -24.97 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -42.24 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.337 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 340' ' ' MET . 1.7 pp20? -78.4 -27.1 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 348' ' ' LEU . 4.0 mt -77.82 -30.68 51.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.665 ' ND2' HG23 ' B' ' 332' ' ' ILE . 64.1 t-20 -74.44 -43.69 55.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.98 -32.0 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.47 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.42 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.1 mp -65.39 -47.85 74.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 11.4 mttt -59.17 -31.18 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.38 -37.99 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.29 -31.55 60.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.9 -31.34 31.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.26 -46.41 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.783 0.325 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 333' ' ' ARG . 34.4 m-85 61.45 116.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -123.4 112.69 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 76.1 m-85 -60.23 129.03 39.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.0 tp -141.04 102.37 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.67 104.24 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.665 HG23 ' ND2' ' A' ' 345' ' ' ASN . 3.6 mp -93.15 139.62 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 327' ' ' TYR . 6.7 ttt-85 -96.74 66.62 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.61 133.04 2.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -44.7 50.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.9 -46.8 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -57.18 -42.78 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.58 -48.11 83.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.47 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.33 -34.2 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -66.48 -58.13 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.4 m-85 -59.95 -29.47 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.94 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.137 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.74 -33.26 58.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.328 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.714 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -71.03 -32.24 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.424 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.87 -47.45 59.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.84 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -71.33 -32.1 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.59 -31.17 66.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.38 -36.63 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.666 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.8 mttt -60.77 -31.75 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.85 -31.64 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.8 -36.29 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -31.21 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 -56.13 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.515 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 63.16 123.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -142.09 104.24 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -70.14 130.29 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 338' ' ' PHE . 11.9 tp -130.88 145.03 51.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -122.95 112.31 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.556 HG21 ' HB3' ' C' ' 337' ' ' ARG . 27.2 mm -101.03 139.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -98.78 30.95 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -147.56 132.35 4.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -67.83 -39.64 83.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.7 -45.32 53.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.595 ' CD ' HD13 ' D' ' 348' ' ' LEU . 3.0 mtm180 -57.56 -44.88 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.74 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' D' ' 330' ' ' LEU . 12.1 t80 -60.88 -48.22 82.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -33.61 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 mtp -66.51 -58.86 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.277 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.417 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.8 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -41.17 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.87 -24.18 55.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.26 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.597 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -78.21 -38.72 42.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 346' ' ' GLU . 30.2 p30 -77.84 -25.35 48.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 110.801 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.7 mt-10 -82.5 -33.85 28.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.632 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.49 -34.25 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.681 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.57 -31.83 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.94 -26.92 60.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.92 -40.97 65.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -30.15 71.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.74 -33.19 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.9 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -68.5 -54.31 17.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -68.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.71 137.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -152.79 138.21 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' C' ' 329' ' ' PHE . 50.7 m-85 -106.95 144.1 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.934 HD12 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -145.98 130.26 17.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -98.33 84.61 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.934 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -78.99 138.69 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.9 ttm105 -95.83 42.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.68 117.13 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -66.99 -45.87 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.12 -46.89 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -57.26 -43.31 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 330' ' ' LEU . 12.8 t80 -61.0 -48.45 81.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.3 -34.28 60.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtp -66.6 -58.38 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.279 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.6 m-85 -59.86 -30.09 68.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -67.48 -41.55 84.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.65 -24.32 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.249 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.793 HD21 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -76.06 -35.81 59.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.818 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -41.32 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.583 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.599 ' O ' HD12 ' D' ' 350' ' ' LEU . 46.0 tt0 -71.51 -32.17 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -74.29 -37.26 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' C' ' 337' ' ' ARG . 0.5 OUTLIER -70.54 -30.91 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.47 -29.36 67.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.599 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -66.15 -45.75 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -66.48 -30.49 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.06 -33.4 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.23 49.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.1 -31.16 25.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.83 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.501 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.813 0.339 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 50.4 m-85 -133.31 115.08 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -85.28 150.33 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.52 130.05 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 93.59 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.8 mp -86.01 138.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -98.6 31.11 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.448 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -127.47 115.79 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.433 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -61.62 -47.96 83.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.13 -42.84 62.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.656 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.2 ttm180 -57.91 -48.09 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 11.2 t80 -59.51 -46.94 87.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.389 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.96 -34.05 62.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.52 -58.49 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.238 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 4.2 m-85 -59.25 -30.09 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -65.46 -39.82 92.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -73.06 -31.87 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.75 -46.06 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.313 179.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' B' ' 332' ' ' ILE . 30.9 t30 -62.88 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.708 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.8 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.1 tt0 -73.79 -31.51 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.89 61.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 344' ' ' LEU . 4.0 mm? -74.66 -38.31 62.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.5 -32.5 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -74.72 -37.91 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -30.81 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.16 -31.44 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.27 -38.94 63.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.43 -33.03 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.88 -55.8 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 8.6 m-85 61.17 112.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 18.4 m-85 -126.87 123.29 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.96 135.14 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.501 HD23 HD11 ' B' ' 332' ' ' ILE . 17.1 tp -135.43 136.72 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 122.71 39.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.715 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.9 mp -123.96 145.52 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -98.65 32.4 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.82 112.27 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -60.38 -30.83 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.59 -52.92 15.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -55.92 -40.85 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.58 -47.79 82.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.364 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -54.71 -33.83 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.5 -57.84 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.363 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.9 m-85 -61.42 -30.59 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.728 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -39.21 76.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.179 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -78.13 -31.1 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.916 HD11 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -75.55 -29.65 59.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.95 -42.52 57.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.55 -32.25 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.85 -31.03 51.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.656 HD13 ' HG3' ' A' ' 337' ' ' ARG . 4.5 mt -75.87 -30.07 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.88 -30.73 65.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -36.43 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -40.67 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.91 -40.36 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.01 43.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.526 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 10.9 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.821 0.344 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 7.1 m-85 -88.9 148.46 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 44.9 m-85 -144.44 98.13 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -60.21 146.58 43.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.5 tp -145.13 91.66 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 84.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.497 HG22 ' H ' ' C' ' 334' ' ' GLY . 4.3 mt -79.21 124.48 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 35.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.35 120.92 2.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.24 -37.76 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.827 ' HD2' HD13 ' D' ' 348' ' ' LEU . 1.2 tpp85 -59.76 -52.02 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -59.37 -45.02 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.58 -33.78 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.73 -60.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.232 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.0 m-85 -60.38 -27.55 67.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -36.9 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.097 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.6 -31.59 57.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.047 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.916 HD21 HD11 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -71.9 -39.68 69.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.365 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.509 ' OD1' HG23 ' D' ' 332' ' ' ILE . 1.3 t30 -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.68 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.487 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -68.12 -40.61 82.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.26 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' D' ' 337' ' ' ARG . 16.3 mt -69.14 -38.52 78.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.91 -30.7 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.487 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.2 mm? -68.16 -52.33 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -64.68 -30.81 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.46 -31.52 65.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.89 63.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.21 -42.74 12.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.61 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -141.78 142.87 33.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -152.91 102.69 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.29 137.73 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.477 HD23 HD11 ' C' ' 332' ' ' ILE . 33.6 tp -136.7 98.03 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.44 104.63 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.639 HG21 ' HG3' ' D' ' 337' ' ' ARG . 3.5 mp -100.53 136.89 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.7 ttt180 -98.57 31.85 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.423 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.01 126.56 2.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.52 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.31 -55.81 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.639 ' HG3' HG21 ' D' ' 332' ' ' ILE . 14.7 ptp180 -55.52 -46.36 77.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' D' ' 332' ' ' ILE . 4.2 t80 -59.45 -40.08 85.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.95 -41.93 79.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.704 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttm -61.6 -54.71 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.403 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.2 -36.32 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -39.37 92.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.206 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -78.32 -29.7 47.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.702 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -75.59 -30.94 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.542 179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -74.95 -42.57 57.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.9 -30.31 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -33.47 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' C' ' 337' ' ' ARG . 6.8 mt -78.94 -27.01 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.8 -28.78 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.692 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -39.72 51.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -30.66 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.88 -31.17 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.36 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -86.77 -37.21 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.4 35.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.877 0.37 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -128.23 153.0 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.436 ' CE1' ' CE ' ' B' ' 331' ' ' LYS . 10.0 m-85 -108.56 142.18 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.499 HD22 ' CE1' ' B' ' 338' ' ' PHE . 18.4 tp -153.86 136.42 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' B' ' 329' ' ' PHE . 12.5 mtpt -106.53 107.21 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.62 127.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.4 OUTLIER -97.45 37.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.04 126.03 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -34.07 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -73.83 -50.49 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.877 ' HG2' HD13 ' B' ' 348' ' ' LEU . 9.5 mtm105 -57.12 -40.77 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' B' ' 330' ' ' LEU . 10.8 t80 -61.77 -47.78 83.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.432 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -66.91 -58.1 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.253 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.38 -28.7 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -36.3 76.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.938 0.399 . . . . 0.0 110.244 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -80.92 -30.17 35.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.103 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.73 -30.84 56.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.479 HD21 HD12 ' B' ' 332' ' ' ILE . 16.9 m-20 -75.82 -42.01 51.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.697 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.28 -30.85 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.35 -29.92 42.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.965 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 344' ' ' LEU . 15.1 mt -77.71 -30.52 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.96 -30.51 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.33 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 8.1 mtpm? -60.72 -38.34 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.67 -32.51 70.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -83.15 -32.1 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.47 -38.73 40.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 7.2 m-85 60.33 96.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 5.5 m-85 -108.98 107.79 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 331' ' ' LYS . 83.3 m-85 -60.51 153.19 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 338' ' ' PHE . 21.4 tp -160.66 123.53 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.436 ' CE ' ' CE1' ' A' ' 329' ' ' PHE . 0.1 OUTLIER -88.75 93.34 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.769 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 HD21 ' A' ' 345' ' ' ASN . 23.6 mm -74.06 95.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.01 72.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.19 128.4 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.98 -56.65 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 -41.48 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.1 ttm180 -57.9 -46.1 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.741 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.499 ' CE1' HD22 ' A' ' 330' ' ' LEU . 13.9 t80 -59.41 -48.93 79.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.473 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.6 mmm -66.95 -59.04 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.302 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.7 m-85 -59.87 -29.2 68.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -38.08 84.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.69 -30.93 52.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.297 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -75.05 -33.15 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.512 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -72.13 -40.93 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.11 -36.44 69.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.5 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.877 HD13 ' HG2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -74.89 -30.92 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.46 -31.07 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.71 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -60.03 -35.65 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.2 -34.97 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.42 80.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.2 -35.24 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 31.06 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 5.0 m-85 -118.52 122.88 43.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.78 136.58 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.888 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.1 tp -129.05 103.97 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -83.93 94.28 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -99.98 127.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -86.18 56.35 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.01 110.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.54 -34.56 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.26 -54.45 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.591 ' HD3' HD12 ' D' ' 348' ' ' LEU . 1.7 mtm105 -55.8 -40.19 72.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.671 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.887 ' CE2' HD22 ' D' ' 330' ' ' LEU . 11.7 t80 -63.17 -47.66 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.94 -33.61 62.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.661 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.475 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.8 ttp -66.41 -58.01 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.3 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.695 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -67.58 -35.85 79.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.97 -29.99 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.259 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.5 mp -77.11 -33.05 56.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.593 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -75.69 -38.47 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.427 ' O ' HD12 ' C' ' 350' ' ' LEU . 20.9 mt-10 -76.11 -31.2 58.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.07 44.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.2 -29.6 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.91 -26.99 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.427 HD12 ' O ' ' C' ' 346' ' ' GLU . 3.7 mt -73.84 -38.36 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -29.73 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.27 -31.54 64.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.16 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.68 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.56 66.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 60.85 111.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 20.2 m-85 -121.71 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -106.28 147.34 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' C' ' 338' ' ' PHE . 1.4 pt? -151.83 138.67 18.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -76.19 110.22 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' D' ' 330' ' ' LEU . 24.7 mm -93.81 104.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -73.86 90.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.4 124.39 1.06 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -64.43 -36.72 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.63 -42.54 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.757 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.92 -51.02 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.888 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.6 t80 -61.05 -44.6 97.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.71 -32.68 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.378 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -67.0 -60.7 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.171 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.7 m-85 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -34.5 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -31.61 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.264 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 344' ' ' LEU . 96.1 mt -76.02 -29.92 58.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.518 ' ND2' HG23 ' C' ' 332' ' ' ILE . 51.1 t30 -76.31 -41.69 47.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -74.27 -30.96 62.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -78.43 -30.66 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.591 HD12 ' HD3' ' C' ' 337' ' ' ARG . 14.8 mt -77.55 -29.79 52.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.44 -31.81 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.38 -41.16 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.29 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.62 -30.93 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.8 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -82.99 -34.75 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.416 -1.214 . . . . 0.0 112.515 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.816 0.341 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -130.06 98.42 4.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.431 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 57.1 m-85 -60.96 135.02 57.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' B' ' 338' ' ' PHE . 35.2 tp -139.1 90.69 2.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -70.65 99.19 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.9 128.11 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -94.18 75.34 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.08 123.1 0.91 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -68.2 -45.79 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.52 -43.43 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' B' ' 348' ' ' LEU . 8.8 mmt-85 -58.57 -51.26 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 330' ' ' LEU . 5.6 t80 -58.07 -41.51 83.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -38.66 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.509 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.6 mtm -67.36 -59.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.991 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.51 ' HE1' HD13 ' B' ' 344' ' ' LEU . 7.7 m-85 -61.93 -20.9 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.171 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -75.45 -33.46 60.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.986 0.422 . . . . 0.0 109.998 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.22 -30.6 48.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.271 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.785 ' O ' HD23 ' A' ' 348' ' ' LEU . 3.6 mp -72.46 -36.16 68.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -71.11 -43.43 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.73 -31.22 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.18 -34.99 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.779 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -64.58 -29.66 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.51 -41.45 84.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.49 -30.06 68.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.6 -46.82 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.25 69.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.63 21.96 16.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.8 -34.38 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.54 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.78 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -132.19 102.35 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.56 132.16 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 338' ' ' PHE . 11.0 tp -131.75 100.61 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 41.7 mttt -66.85 83.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -79.4 103.05 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -79.86 64.93 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.52 112.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -60.37 -40.92 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.03 -50.43 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -56.1 -40.75 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 330' ' ' LEU . 12.7 t80 -61.19 -48.59 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.434 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.8 -34.69 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.2 -58.48 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.66 -30.0 70.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.1 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.5 -33.3 60.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.277 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.775 HD21 HD11 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -72.31 -39.1 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.439 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -39.07 90.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.02 -46.6 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.88 -26.24 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.647 HD22 ' HG3' ' A' ' 337' ' ' ARG . 9.1 tp -70.82 -41.59 71.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.867 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.28 -27.96 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 mt -77.14 -41.04 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -29.8 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.67 -30.05 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.1 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -70.97 -34.59 71.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.02 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 15.5 m-85 61.36 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.447 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 22.3 m-85 -127.14 114.33 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.27 140.43 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -149.09 126.15 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 87.09 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 3.7 mp -71.86 132.94 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 4.9 ttt180 -103.53 76.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.56 141.32 4.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -76.67 -45.94 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.61 -46.17 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.782 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -49.7 75.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.66 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.216 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -57.11 -32.3 66.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.505 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.607 ' O ' HD12 ' C' ' 344' ' ' LEU . 5.2 ttm -67.66 -58.75 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.54 ' HE2' HD22 ' D' ' 344' ' ' LEU . 2.1 m-85 -63.4 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.695 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.57 -31.94 69.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.42 -34.03 54.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.775 HD11 HD21 ' B' ' 344' ' ' LEU . 2.0 mp -72.8 -37.51 67.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -68.6 -38.92 81.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.401 ' O ' HD23 ' C' ' 350' ' ' LEU . 5.3 tt0 -70.2 -44.96 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -68.11 -28.09 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.913 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.4 tp -70.67 -37.89 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.744 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.05 -31.3 72.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.401 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -66.49 -40.32 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 0.1 OUTLIER -59.82 -32.51 70.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.41 -31.48 65.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.13 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -30.77 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -110.88 30.72 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 6.3 m-85 -82.68 110.14 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -93.73 109.76 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.33 151.79 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' D' ' 332' ' ' ILE . 13.5 tp -161.77 107.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.5 108.69 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' D' ' 330' ' ' LEU . 4.9 mt -112.35 142.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 9.7 ttt-85 -98.66 35.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.46 112.56 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -59.4 -51.75 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.72 -46.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.913 ' HG2' HD22 ' C' ' 348' ' ' LEU . 1.3 tpp180 -57.64 -48.96 78.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' C' ' 330' ' ' LEU . 8.4 t80 -61.59 -44.44 97.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.132 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.69 -34.19 64.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -65.76 -60.15 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.579 ' HE1' HD22 ' C' ' 344' ' ' LEU . 5.8 m-85 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.5 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.078 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.56 -32.13 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.36 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.48 -33.39 64.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.611 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' C' ' 332' ' ' ILE . 18.3 m-80 -72.68 -42.51 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 -32.29 66.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.76 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.83 -32.71 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.782 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.51 -31.05 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -72.23 -29.11 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -47.86 79.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.54 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.49 20.06 19.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.06 -37.96 9.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.821 0.343 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.484 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -146.31 108.52 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HE3' ' B' ' 331' ' ' LYS . 85.6 m-85 -62.8 152.7 35.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.876 HD12 ' CE1' ' B' ' 338' ' ' PHE . 6.7 tt -161.62 118.49 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' B' ' 329' ' ' PHE . 0.2 OUTLIER -85.48 123.85 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.63 107.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 5.3 ttt180 -82.01 59.63 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.73 132.39 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -73.85 -32.58 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.17 -52.06 11.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.31 -40.85 75.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.804 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.5 t80 -62.55 -47.97 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.381 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -33.21 62.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -66.74 -57.89 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.359 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.7 m-85 -62.4 -31.02 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -70.65 -35.63 72.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.227 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -80.67 -31.76 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.18 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.723 HD21 ' CD2' ' D' ' 344' ' ' LEU . 1.6 mt -77.27 -31.05 54.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.6 -40.4 49.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 350' ' ' LEU . 17.8 mt-10 -73.83 -32.82 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.638 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.76 -32.54 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.788 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.6 mt -73.35 -33.3 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.98 -30.4 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.774 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -65.88 -37.8 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -58.99 -38.28 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -44.21 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.19 71.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -70.91 -31.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.97 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.495 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 5.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 12.7 m-85 -88.07 152.6 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.8 m-85 -147.69 102.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 331' ' ' LYS . 90.0 m-85 -60.35 133.47 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.804 HD13 ' CE2' ' A' ' 338' ' ' PHE . 18.0 tp -134.44 112.24 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 329' ' ' PHE . 5.1 mtpt -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.739 HD11 HD23 ' B' ' 330' ' ' LEU . 26.9 mm -78.91 127.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -98.6 32.5 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.534 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.37 124.76 1.93 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -60.63 -46.89 88.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -43.22 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.788 ' CG ' HD13 ' A' ' 348' ' ' LEU . 26.8 mtm-85 -57.92 -44.96 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.876 ' CE1' HD12 ' A' ' 330' ' ' LEU . 12.6 t80 -59.85 -48.44 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.87 -32.88 61.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.38 -58.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.0 m-85 -61.82 -29.43 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -69.44 -35.57 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.224 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -31.94 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.256 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.737 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -76.55 -31.57 57.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -74.05 -40.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.636 ' O ' HD23 ' B' ' 350' ' ' LEU . 11.2 tt0 -72.29 -35.84 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.643 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -30.33 64.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.2 mm? -72.21 -38.75 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.81 -29.91 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.636 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -70.27 -48.64 55.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.512 ' HD2' HD13 ' B' ' 348' ' ' LEU . 18.0 ptpt -64.74 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.24 -31.42 69.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.94 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -71.37 -46.24 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.75 33.5 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.532 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.815 0.341 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 60.7 111.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.62 123.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.444 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 0.9 OUTLIER -79.66 106.74 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' D' ' 338' ' ' PHE . 20.8 tp -108.29 95.86 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -79.93 111.29 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.547 HG22 ' H ' ' C' ' 334' ' ' GLY . 28.2 mm -103.01 132.51 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 32.88 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.547 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -133.12 126.17 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -63.79 -46.24 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.3 -47.61 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.643 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.741 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.52 -45.43 93.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -55.44 -34.56 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtp -66.53 -58.52 5.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.9 m-85 -62.01 -28.7 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -69.63 -34.43 74.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.977 0.418 . . . . 0.0 110.242 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.23 -32.05 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.07 -30.81 61.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -75.21 -41.62 57.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.741 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 -31.18 64.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -33.06 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -74.18 -31.16 62.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.15 -30.06 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.58 -43.33 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -66.39 -30.63 71.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.73 -31.63 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.28 71.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -78.99 -42.3 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.36 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -99.61 151.79 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.57 91.32 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.11 134.61 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.534 HD23 HD11 ' D' ' 332' ' ' ILE . 7.3 tp -145.81 108.75 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 7.5 ttmm -100.67 129.64 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.534 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -130.17 129.93 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.07 -34.03 75.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -59.63 114.63 6.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.575 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.88 -35.91 77.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.512 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.6 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.6 t80 -58.5 -45.88 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.364 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.34 -32.3 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.524 ' SD ' HD22 ' C' ' 344' ' ' LEU . 16.9 ttm -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.95 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.512 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 7.7 m-85 -57.69 -27.54 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -66.17 -38.42 88.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -32.27 61.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.723 ' CD2' HD21 ' A' ' 344' ' ' LEU . 4.0 mm? -72.9 -42.56 63.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.322 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.47 -38.32 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.37 -32.13 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -29.72 47.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.8 OUTLIER -78.59 -31.02 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.22 -31.26 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.17 -32.01 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.27 -32.27 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.52 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -72.04 -32.52 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.22 -32.09 43.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 6.2 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.797 0.332 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.423 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 3.6 m-85 -134.2 152.38 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -104.78 135.02 46.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.891 HD13 ' CE1' ' B' ' 338' ' ' PHE . 21.0 tp -135.28 98.47 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' B' ' 329' ' ' PHE . 3.5 pttm -78.54 108.68 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -114.98 140.66 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 158.63 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.73 124.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.57 72.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.07 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.1 tpp180 -57.2 -47.15 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CD1' HD12 ' B' ' 330' ' ' LEU . 8.2 t80 -61.67 -44.34 97.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.252 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.68 -33.87 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 tpp -66.6 -61.14 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.074 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.784 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.4 m-85 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.37 -39.39 85.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.229 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.985 HD22 HD21 ' D' ' 344' ' ' LEU . 7.2 mt -67.48 -29.86 69.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.382 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.626 HD21 HG23 ' B' ' 332' ' ' ILE . 1.3 t-20 -69.94 -51.79 29.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.619 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.92 -32.23 73.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.44 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 344' ' ' LEU . 2.8 mm? -68.22 -32.09 72.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.633 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -64.26 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.8 -49.35 73.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -59.17 -31.52 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.94 -39.42 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.17 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.46 -38.94 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 37.42 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 60.5 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -105.84 126.6 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 331' ' ' LYS . 8.5 m-85 -81.95 119.93 24.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.717 HD12 ' CD1' ' A' ' 338' ' ' PHE . 1.5 tt -105.18 93.25 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -66.43 84.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.626 HG23 HD21 ' A' ' 345' ' ' ASN . 4.5 mt -81.13 135.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 2.0 ttt180 -102.08 34.62 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.531 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.76 129.39 3.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -71.0 -39.89 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.81 -53.7 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -55.42 -40.85 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.891 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.6 t80 -61.66 -47.14 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.396 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.35 -34.83 61.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.16 -58.75 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.288 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.26 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.712 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -69.44 -33.81 73.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -80.17 -31.65 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.172 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.6 HD21 ' CG ' ' C' ' 344' ' ' LEU . 1.3 mt -75.23 -33.9 61.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.468 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -74.32 -41.27 61.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.05 -31.5 66.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.703 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.49 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 344' ' ' LEU . 12.3 mt -71.84 -40.27 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.93 -30.92 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -35.47 71.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.34 -35.22 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.86 -34.33 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.23 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -85.97 -33.97 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.58 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 8.2 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -103.66 126.2 50.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' C' ' 326' ' ' GLU . 35.6 m-85 -114.75 138.0 51.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 12.5 m-85 -104.54 125.32 50.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.616 HD23 HD11 ' C' ' 332' ' ' ILE . 17.4 tp -143.95 128.46 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -102.23 95.84 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.616 HD11 HD23 ' C' ' 330' ' ' LEU . 31.0 mm -71.44 135.47 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.8 OUTLIER -105.95 74.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.1 139.3 2.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -41.59 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.2 -48.02 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.7 ttm180 -56.85 -45.45 82.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.98 -46.99 88.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -33.42 62.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.59 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.75 -58.96 4.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.03 -29.54 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -37.51 78.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.989 0.423 . . . . 0.0 110.161 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.03 -31.61 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.19 -30.32 60.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.465 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.38 -43.21 57.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -30.59 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.38 -30.72 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.733 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.4 mt -76.93 -31.07 56.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.96 -29.59 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -35.87 77.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -66.15 -36.13 82.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -64.27 -34.22 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.35 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.21 31.2 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.13 -31.83 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.493 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 64.8 m-85 60.38 110.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -137.63 120.55 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HE2' ' C' ' 331' ' ' LYS . 8.9 m-85 -68.48 141.84 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -154.15 113.25 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.407 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 4.3 mtpm? -87.33 83.65 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -71.26 107.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -83.28 72.64 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.88 124.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -64.29 -46.05 85.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -43.44 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.652 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.32 -48.34 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.2 -46.79 87.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.516 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.72 -34.22 64.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.55 ' HE1' HD11 ' C' ' 348' ' ' LEU . 4.2 ttp -67.22 -58.09 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.267 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -63.74 -29.36 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -72.41 -36.24 68.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.092 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.41 -30.36 42.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.985 HD21 HD22 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -76.88 -39.03 52.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.45 179.439 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.75 -34.83 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -75.27 -31.43 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -34.81 60.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.8 mt -74.35 -32.59 62.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.19 -29.42 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -35.5 77.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -62.87 -40.21 96.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.65 70.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -77.47 -32.31 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.0 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 33.7 m-85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -88.99 102.71 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -106.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -129.26 137.24 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.435 ' HE3' ' CG ' ' B' ' 327' ' ' TYR . 6.5 ttpt -78.09 124.29 27.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.574 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.5 mp -118.54 134.16 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 23.1 ptt85 -93.6 71.6 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.06 125.08 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.35 -34.8 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.86 -50.74 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -55.86 -44.0 77.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.02 -47.24 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.447 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.94 -33.51 62.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.69 -59.27 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.257 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.12 -29.82 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -35.72 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.168 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.59 -30.14 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.4 mp -76.46 -34.95 58.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.46 -38.48 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.91 -33.24 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.6 54.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.44 -30.85 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.99 -30.84 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.39 -36.03 81.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.53 -41.89 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.42 -31.72 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.38 -39.6 85.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.11 -41.68 25.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.523 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.427 ' CB ' ' CZ ' ' B' ' 328' ' ' PHE . 2.8 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CG ' ' HE3' ' A' ' 331' ' ' LYS . 8.9 m-85 -96.43 148.12 23.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' CB ' ' B' ' 326' ' ' GLU . 17.7 m-85 -151.6 117.17 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.47 113.66 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 341' ' ' PHE . 6.3 tp -106.51 103.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.64 128.67 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.419 HD11 HD23 ' B' ' 330' ' ' LEU . 2.3 mt -126.29 118.74 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 1.2 ttt180 -92.48 82.93 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.77 132.44 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -61.1 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.323 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -33.62 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.754 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -62.48 -56.46 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.448 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 330' ' ' LEU . 6.0 t80 -61.33 -42.62 98.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.07 -31.67 65.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.425 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.543 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -66.95 -61.64 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 8.5 m-85 -59.5 -27.67 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.97 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -33.83 74.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 110.034 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.56 -32.09 42.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.416 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.689 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -76.62 -31.58 57.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -75.11 -38.2 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.89 -35.11 72.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.77 -38.43 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.8 mm? -68.8 -29.95 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -74.12 -46.98 39.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.743 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.3 pp -72.33 -27.32 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.743 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -79.89 -31.17 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -31.15 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.59 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -65.23 -31.85 73.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.35 -49.99 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 60.3 109.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -132.11 108.48 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -61.53 152.75 29.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' D' ' 338' ' ' PHE . 6.2 tp -139.68 84.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.54 83.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.4 mt -73.86 152.06 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -117.82 82.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 157.27 144.64 3.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -74.38 -41.21 61.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.13 -40.72 62.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -51.11 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.402 ' HA ' HD13 ' C' ' 332' ' ' ILE . 9.5 t80 -59.03 -45.72 90.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.483 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -57.22 -32.88 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.401 ' O ' HD23 ' C' ' 344' ' ' LEU . 4.1 ttm -68.59 -58.96 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.27 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -64.53 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -76.45 -36.48 57.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -75.57 -33.36 60.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.95 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.805 ' O ' HD13 ' C' ' 348' ' ' LEU . 3.5 mm? -74.08 -44.33 54.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.209 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -65.49 -32.15 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -46.5 52.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.685 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.61 -24.72 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.805 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.5 mp -74.58 -40.47 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -68.15 -26.52 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -72.4 -41.07 66.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -68.59 -28.33 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.49 -31.42 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.21 52.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.18 -30.54 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.86 34.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.43 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.3 m-85 -86.77 152.89 22.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 40.0 m-85 -146.84 126.37 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -83.57 116.36 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -114.97 100.15 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -71.79 107.35 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.585 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.1 mt -109.23 121.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -95.43 75.76 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.01 119.82 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -60.41 -37.15 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -46.24 37.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NE ' HD23 ' C' ' 348' ' ' LEU . 8.3 ttm180 -58.0 -49.71 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' C' ' 330' ' ' LEU . 6.8 t80 -59.69 -42.99 94.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.336 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.72 -34.5 65.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.74 -61.24 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.112 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.585 ' HD1' HD13 ' D' ' 332' ' ' ILE . 5.6 m-85 -61.41 -26.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.98 -33.89 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.078 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -81.12 -31.42 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.781 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -75.59 -30.61 59.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -75.66 -43.22 48.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' HD23 ' D' ' 350' ' ' LEU . 14.9 tt0 -72.54 -31.31 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.51 -34.41 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.781 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.4 mm? -71.6 -31.9 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.81 -31.71 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.741 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.485 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.5 mm? -67.79 -34.56 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -39.25 93.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.72 -34.08 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -73.96 -31.44 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -124.27 77.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 68.3 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -121.21 109.48 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' B' ' 331' ' ' LYS . 95.2 m-85 -82.41 101.42 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' B' ' 338' ' ' PHE . 4.6 tp -96.18 108.13 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -70.82 83.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.412 HG23 ' HE ' ' A' ' 337' ' ' ARG . 3.5 mt -79.24 99.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' B' ' 327' ' ' TYR . 2.2 mpp_? -85.26 57.08 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -156.98 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -58.38 -46.83 85.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.55 -46.95 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.457 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.0 ttp180 -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.38 -42.21 95.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.269 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.3 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.95 -61.36 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.105 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 5.1 m-85 -62.11 -25.45 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -37.26 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.983 0.42 . . . . 0.0 109.996 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.9 -31.65 59.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.847 HD11 ' CD2' ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.95 -43.54 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.99 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.07 -32.7 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.39 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.865 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -76.96 -35.49 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.65 -29.24 64.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.8 -41.36 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.457 ' HB3' HD13 ' D' ' 350' ' ' LEU . 10.5 ptmt -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.45 -31.24 62.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.71 -36.31 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -31.27 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.61 -40.75 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.532 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.802 0.334 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' HG3' ' A' ' 333' ' ' ARG . 70.1 m-85 60.26 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.2 m-85 -121.01 95.77 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -65.34 150.93 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' B' ' 332' ' ' ILE . 14.6 tp -148.05 108.49 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 329' ' ' PHE . 4.2 ptmm? -98.38 128.64 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' B' ' 330' ' ' LEU . 3.7 mp -136.57 136.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.4 33.26 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.5 113.19 1.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.68 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -73.2 -52.26 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.865 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -56.07 -47.55 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -61.92 -45.01 95.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.203 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.8 -33.75 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -59.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.239 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.21 -29.74 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -37.16 84.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.939 0.399 . . . . 0.0 110.033 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -76.28 -31.66 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.818 ' O ' HD13 ' B' ' 348' ' ' LEU . 4.5 mp -75.03 -41.01 60.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.412 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.26 -32.96 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.469 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -71.91 -47.3 53.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -66.98 -27.38 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.818 HD13 ' O ' ' B' ' 344' ' ' LEU . 6.2 mp -72.07 -38.53 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.779 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -29.48 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.46 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.54 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.06 58.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -80.19 -31.53 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.5 -33.15 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.545 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 60.53 110.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -123.39 108.0 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -76.8 125.87 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.681 HD12 ' CE1' ' D' ' 338' ' ' PHE . 4.0 tt -113.15 139.6 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.477 ' N ' HD23 ' C' ' 330' ' ' LEU . 0.0 OUTLIER -99.72 114.73 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.715 HG21 ' N ' ' C' ' 338' ' ' PHE . 3.6 mp -95.16 113.3 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 51.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.52 144.86 7.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -69.8 -58.23 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.38 -39.82 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -59.63 -52.38 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.631 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.715 ' N ' HG21 ' C' ' 332' ' ' ILE . 7.6 t80 -61.72 -44.71 96.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.054 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.83 -31.62 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.365 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -61.22 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -59.27 -28.06 66.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -37.61 82.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.135 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -78.06 -30.13 49.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.787 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.6 -36.05 60.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -71.8 -38.29 70.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.438 ' O ' HD12 ' C' ' 350' ' ' LEU . 4.6 tt0 -73.26 -30.29 63.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.07 -39.88 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.01 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.847 HD22 ' NE ' ' D' ' 337' ' ' ARG . 4.6 pp -76.28 -25.87 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . 0.575 ' N ' HD12 ' C' ' 348' ' ' LEU . 4.9 tt0 -78.29 -29.72 48.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.438 HD12 ' O ' ' C' ' 346' ' ' GLU . 4.9 mt -71.31 -31.61 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -72.71 -31.46 65.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.44 -36.17 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.93 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -81.33 -31.14 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.16 38.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.07 151.66 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -139.17 155.01 48.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.03 124.68 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.961 HD23 HD11 ' D' ' 332' ' ' ILE . 12.7 tp -131.08 153.1 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.81 110.26 22.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.961 HD11 HD23 ' D' ' 330' ' ' LEU . 28.5 mm -109.93 95.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 104.82 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.97 133.08 2.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -74.63 -38.66 62.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.25 -45.18 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.847 ' NE ' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -58.59 -51.08 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.681 ' CE1' HD12 ' C' ' 330' ' ' LEU . 5.9 t80 -60.78 -42.41 97.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.73 -32.3 65.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.21 -62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 9.5 m-85 -59.25 -27.33 65.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.934 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -68.85 -35.87 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.003 0.43 . . . . 0.0 109.969 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -31.09 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.185 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 344' ' ' LEU . 98.0 mt -73.24 -31.42 64.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -73.74 -45.65 50.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.87 -30.15 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.11 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -36.51 68.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -67.22 -31.41 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 351' ' ' LYS . 2.5 mt -65.77 -37.69 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -64.21 -36.58 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -34.68 77.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.28 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -92.17 -31.72 15.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 -56.89 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.424 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -132.44 110.83 10.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -66.07 141.09 58.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.705 HD23 HD11 ' A' ' 332' ' ' ILE . 20.7 tp -139.51 98.64 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -84.47 100.89 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.705 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mp -99.76 153.32 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' B' ' 327' ' ' TYR . 6.7 ttt85 -113.18 123.22 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.91 144.14 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -29.94 60.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mp0 -76.75 -46.54 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.624 ' HD2' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.98 -52.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' B' ' 330' ' ' LEU . 4.5 t80 -62.38 -40.94 98.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.017 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.48 -32.9 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -61.67 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.055 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.527 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.9 m-85 -60.9 -26.99 67.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -69.86 -34.53 73.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.5 -32.74 42.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.194 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' D' ' 344' ' ' LEU . 6.6 mt -73.98 -30.76 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.495 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' B' ' 332' ' ' ILE . 59.2 t-20 -73.37 -44.6 58.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.579 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.58 -34.06 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 350' ' ' LEU . . . -72.32 -32.04 66.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -38.9 76.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -62.54 -31.37 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 347' ' ' ALA . 17.7 mt -64.9 -45.16 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -59.93 -32.35 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -35.8 76.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.09 -33.51 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.31 -37.68 60.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.85 -49.39 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.483 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 331' ' ' LYS . 6.5 m-85 63.27 127.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -135.82 127.43 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 331' ' ' LYS . 1.1 m-85 -81.63 145.3 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 338' ' ' PHE . 16.4 tp -139.94 102.13 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -82.55 98.63 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.68 HD11 HD23 ' B' ' 330' ' ' LEU . 3.6 mp -101.26 131.04 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -88.79 74.25 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.36 128.35 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -33.54 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.81 -50.81 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -56.09 -44.06 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' B' ' 342' ' ' ARG . 39.4 t80 -62.03 -47.86 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.283 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.26 -33.24 63.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.619 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttm -66.03 -57.91 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.272 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.36 -33.75 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -67.67 -39.37 84.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.059 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.2 -29.35 48.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.171 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.786 ' CD1' HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.39 -32.35 60.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.594 179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -73.77 -42.26 61.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.667 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -31.3 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.2 -36.76 61.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.624 HD12 ' HD2' ' A' ' 337' ' ' ARG . 12.2 mt -74.74 -24.85 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -79.35 -26.22 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.636 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -43.55 40.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.02 66.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.776 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.27 -33.45 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.27 -33.2 67.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.57 -59.32 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.508 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 60.89 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.2 m-85 -119.91 147.17 45.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 145.27 32.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' D' ' 338' ' ' PHE . 9.5 tp -149.18 106.47 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.27 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' C' ' 338' ' ' PHE . 33.7 mm -67.92 123.1 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 144.9 131.4 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -66.15 -42.91 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.63 -51.43 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -55.91 -44.9 78.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -64.17 -48.38 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.972 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -30.9 59.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.58 -60.39 2.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 1.7 m-30 -59.85 -30.29 68.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -43.26 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.36 -32.07 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.288 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' B' ' 344' ' ' LEU . 4.0 mt -71.51 -31.63 67.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.461 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.84 -47.44 62.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -69.16 -32.63 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.37 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -42.39 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.09 69.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -43.34 80.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 27.0 mttt -60.23 -40.92 91.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.99 -31.49 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.16 73.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -82.51 -37.55 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -54.96 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.71 111.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.94 135.25 47.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.96 138.95 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.895 HD13 ' CE1' ' C' ' 338' ' ' PHE . 21.3 tp -141.36 109.09 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -98.91 111.28 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.72 124.17 67.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -84.02 71.38 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.92 129.88 1.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -31.82 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -56.74 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.4 tpp180 -57.0 -37.59 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 8.5 t80 -66.61 -45.53 78.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.215 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -32.85 62.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 ttm -67.15 -61.68 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.98 -27.95 68.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' C' ' 330' ' ' LEU . 0.4 OUTLIER -68.95 -33.67 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.031 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -34.81 59.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 344' ' ' LEU . 76.1 mt -71.22 -36.8 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.422 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.75 -42.25 86.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.73 -45.19 75.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.582 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -29.1 68.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' C' ' 337' ' ' ARG . 13.1 tp -68.39 -38.42 81.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.73 -31.18 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.03 -42.59 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.49 -32.05 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -68.69 -31.39 70.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.94 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.64 -37.42 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -35.18 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 6.4 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.81 0.338 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.66 87.8 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.43 152.87 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.603 HD13 ' CE1' ' B' ' 338' ' ' PHE . 10.5 tp -156.25 119.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 118.77 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.38 123.3 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -95.59 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -35.55 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.42 -51.39 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.26 -42.14 76.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -62.4 -48.59 79.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.69 -32.93 60.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.699 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.73 -57.08 7.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.07 -31.69 72.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.631 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -68.43 -37.71 80.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.201 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.36 -31.26 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.224 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.751 HD21 ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -74.67 -31.2 61.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.76 -43.32 59.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.6 tt0 -71.92 -33.98 68.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.4 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.4 -32.15 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.707 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -67.96 -30.93 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -65.77 -44.85 84.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -59.68 -30.68 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.68 -39.18 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.94 72.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -81.23 -39.49 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.12 73.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 19.4 m-85 -95.57 135.02 37.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 3.4 m-85 -112.15 99.34 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -59.5 138.22 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -142.08 132.17 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -96.49 121.78 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.69 105.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 5.8 ttp85 -92.37 48.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.85 117.03 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.7 -40.02 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -52.8 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -56.44 -44.6 80.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.808 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.2 t80 -62.2 -44.59 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.272 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -55.1 -34.17 63.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' B' ' 344' ' ' LEU . 4.0 ttp -66.66 -60.95 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.104 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.455 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.8 m-85 -61.54 -27.82 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.96 -33.63 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.121 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.65 -31.77 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.265 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 348' ' ' LEU . 2.4 mp -75.89 -31.86 59.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -74.37 -41.38 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.491 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.6 mm-40 -70.47 -33.97 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -70.98 -34.07 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.833 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.1 -40.06 78.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.32 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.491 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.7 OUTLIER -65.37 -42.46 92.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -59.29 -33.53 71.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -36.48 79.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.24 63.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -75.75 -32.46 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.67 -34.89 22.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.508 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -113.94 153.95 28.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -147.24 109.91 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' D' ' 331' ' ' LYS . 15.5 m-85 -70.67 153.3 42.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -156.24 100.71 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -83.07 120.59 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.511 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -117.95 137.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.424 ' CG ' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -98.68 31.3 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.28 118.67 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -61.2 -41.77 97.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.3 -44.39 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.618 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.0 ttm180 -57.82 -47.66 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.715 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.705 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.6 t80 -60.14 -46.34 89.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.74 -33.77 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 mtp -66.66 -57.65 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.382 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.416 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.3 m-85 -62.83 -30.45 71.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -70.75 -36.2 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.95 -34.28 44.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' B' ' 344' ' ' LEU . 0.8 OUTLIER -72.59 -29.92 63.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -72.22 -47.64 48.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.637 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.809 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -70.13 -39.24 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -65.47 -38.64 90.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.74 -30.61 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.75 -37.53 79.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.35 -35.77 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.08 -33.18 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.2 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -76.59 -44.77 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.63 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CZ ' ' CG ' ' C' ' 333' ' ' ARG . 13.2 m-85 -140.09 152.54 46.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -146.56 88.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.35 130.47 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.705 HD13 ' CE1' ' C' ' 338' ' ' PHE . 14.8 tp -131.02 129.66 42.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' C' ' 329' ' ' PHE . 21.2 mtmt -98.03 101.79 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -88.79 122.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -94.51 44.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.25 131.0 2.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -71.1 -34.07 70.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.96 -53.63 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.4 -38.99 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.625 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -63.55 -48.35 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.56 -33.41 60.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttm -66.36 -57.96 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.32 -31.67 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.194 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -80.65 -30.82 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.214 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.751 ' CD2' HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.86 -30.19 56.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.03 -41.25 43.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.45 -30.58 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.66 -30.76 46.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.7 mt -76.8 -31.76 57.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.02 -29.28 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.23 -35.62 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.8 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.42 -34.57 74.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.23 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -80.39 -38.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.77 87.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.84 0.352 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -146.32 103.64 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 130.83 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.707 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.2 tt -137.22 153.05 50.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.644 ' N ' HD23 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -129.03 115.66 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -98.45 153.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -114.91 41.17 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.97 138.46 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -32.61 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -45.85 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.09 -49.98 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.815 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.4 t80 -61.1 -43.72 98.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.214 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.59 -32.68 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.377 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.4 ttm -67.42 -61.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.3 m-85 -60.41 -26.61 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.759 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -69.96 -35.04 74.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -80.17 -31.87 38.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.306 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.753 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.17 -30.21 54.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.595 179.596 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.42 -38.72 55.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.699 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -74.3 -33.79 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.779 179.812 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.55 -31.53 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' B' ' 337' ' ' ARG . 9.3 mt -75.45 -30.79 60.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -71.48 -31.06 66.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.14 -38.23 85.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -60.19 -38.4 83.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.98 -31.76 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 54.9 m-85 -122.81 152.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -144.12 97.65 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 331' ' ' LYS . 3.6 m-85 -69.2 153.1 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 338' ' ' PHE . 10.4 tp -164.95 118.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -89.24 111.03 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.554 HD11 HD23 ' B' ' 330' ' ' LEU . 25.6 mm -92.67 125.08 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.67 31.32 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.47 121.62 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.17 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -39.88 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.25 -49.99 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.707 ' CE2' HD12 ' A' ' 330' ' ' LEU . 11.9 t80 -59.59 -47.35 85.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.325 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.59 -32.04 62.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.67 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.297 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' B' ' 344' ' ' LEU . 3.2 m-85 -61.52 -29.27 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -36.28 77.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.249 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.37 -32.28 43.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.263 179.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.925 HD22 HD11 ' C' ' 344' ' ' LEU . 7.2 mt -76.31 -29.3 57.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.74 -40.77 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.4 mt-10 -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.495 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.82 -32.64 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.7 mt -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.77 -31.13 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.5 mm? -70.9 -47.0 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD23 ' B' ' 348' ' ' LEU . 13.9 ptmm? -67.66 -31.49 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -31.57 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.64 -30.91 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -73.92 -33.47 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.89 84.73 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.976 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.76 147.96 52.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -141.93 88.08 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 26.8 m-85 -59.46 153.02 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' D' ' 338' ' ' PHE . 7.8 tt -151.99 119.85 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.423 ' HE3' ' CD2' ' D' ' 327' ' ' TYR . 15.8 tttp -83.64 137.61 33.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.564 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mp -133.24 127.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.8 ptp85 -98.53 30.63 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -142.61 123.28 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -48.83 23.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' D' ' 348' ' ' LEU . 15.3 mtm180 -56.17 -47.34 78.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.757 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.444 ' CE1' ' HD3' ' C' ' 342' ' ' ARG . 12.1 t80 -59.62 -45.8 90.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.413 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' C' ' 342' ' ' ARG . 3.6 mt-10 -56.44 -29.78 62.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -76.16 -49.46 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 1.9 m-85 -67.18 -30.67 70.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' C' ' 338' ' ' PHE . 17.1 ptt180 -73.97 -34.35 64.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -36.63 46.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.925 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -70.01 -29.72 66.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.42 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -71.82 -49.41 38.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.647 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.0 -30.28 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.6 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -70.84 -36.6 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.9 -31.3 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' B' ' 351' ' ' LYS . 3.8 mt -67.98 -44.65 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' C' ' 355' ' ' ALA . 14.8 mttm -60.26 -31.36 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.26 -32.11 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -31.7 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -118.24 31.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -175.21 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 47.2 m-85 -154.85 152.05 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -143.33 98.42 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.47 152.94 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.467 HD23 HD11 ' D' ' 332' ' ' ILE . 31.8 tp -138.99 149.72 45.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 19.6 mttt -118.17 83.88 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.467 HD11 HD23 ' D' ' 330' ' ' LEU . 3.1 mt -86.76 113.6 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.83 39.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.26 123.69 2.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.06 -48.54 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.15 -44.98 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -57.61 -43.54 84.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' C' ' 330' ' ' LEU . 13.9 t80 -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.31 -34.12 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.0 tpp -66.72 -58.4 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.312 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -62.36 -29.78 70.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -71.43 -36.01 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 110.149 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.06 -30.88 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.241 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.753 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.39 -30.1 57.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.565 179.601 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -76.51 -41.03 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.754 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.41 ' O ' HD12 ' D' ' 350' ' ' LEU . 16.4 tt0 -74.2 -30.25 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.96 43.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' C' ' 337' ' ' ARG . 4.7 mt -77.43 -27.38 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.5 56.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.41 HD12 ' O ' ' D' ' 346' ' ' GLU . 1.7 mt -71.78 -37.96 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.666 ' HD3' HD23 ' D' ' 348' ' ' LEU . 1.4 ptmm? -71.75 -31.1 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.3 -31.49 65.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.35 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.29 -32.12 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.71 -56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.446 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.805 0.335 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -155.46 113.52 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.75 137.17 47.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.0 tp -139.08 123.08 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -99.55 84.81 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.619 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -85.24 109.76 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -82.36 72.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.48 134.31 2.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.95 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.05 -47.89 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.775 ' CG ' HD13 ' B' ' 348' ' ' LEU . 14.1 mtm180 -56.78 -44.64 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -60.79 -47.43 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.389 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.98 -33.35 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD12 ' A' ' 344' ' ' LEU . 4.9 mtp -67.01 -58.69 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.433 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.0 m-85 -61.06 -28.9 69.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -36.25 75.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.266 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.09 -32.23 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.272 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.5 mp -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.535 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' B' ' 332' ' ' ILE . 6.8 t30 -74.14 -42.65 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.13 -32.0 68.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.15 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.3 mm? -72.59 -38.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.776 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.01 -32.38 72.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -37.78 74.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -64.67 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.13 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.12 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -82.9 -34.23 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.71 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.522 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.27 89.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -106.78 102.32 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -71.97 151.87 42.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.4 128.4 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -105.15 103.91 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.491 HG23 ' OD1' ' A' ' 345' ' ' ASN . 27.9 mm -86.14 140.99 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.52 33.58 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.09 118.62 1.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.421 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -61.36 -38.22 86.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.03 -49.91 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.54 -43.22 79.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.677 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.72 -48.56 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.291 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.11 -33.64 58.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.68 -58.2 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.327 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.53 -29.74 68.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -44.08 78.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.124 179.359 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.97 -24.35 52.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.258 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.615 ' O ' HD12 ' B' ' 348' ' ' LEU . 1.2 tp -78.54 -32.11 47.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.74 57.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' B' ' 350' ' ' LEU . 29.8 tt0 -73.43 -33.45 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -32.4 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -73.25 -32.46 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.15 -31.09 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.0 mm? -67.8 -46.51 71.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -60.86 -34.47 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.44 -31.61 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.4 44.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -88.22 -31.46 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.95 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.62 99.92 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.8 150.82 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.2 133.21 54.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.721 HD23 ' N ' ' C' ' 331' ' ' LYS . 5.3 tt -146.21 132.95 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.721 ' N ' HD23 ' C' ' 330' ' ' LEU . 18.7 tttt -106.78 119.75 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -103.78 144.33 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -107.05 37.43 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.75 134.49 6.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -70.47 -47.32 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.57 -44.81 56.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.758 ' HD3' HD13 ' D' ' 348' ' ' LEU . 26.3 ttp180 -57.95 -50.0 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -62.71 -46.44 88.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.989 179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.28 -30.88 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.451 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.39 -59.58 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 1.5 m-85 -61.97 -28.96 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.71 179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -71.21 -37.87 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.54 -32.75 54.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.398 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.664 ' O ' HD12 ' C' ' 348' ' ' LEU . 60.8 mt -75.04 -29.35 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.592 179.585 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.633 ' OD1' HG23 ' D' ' 332' ' ' ILE . 12.4 t30 -74.48 -42.1 59.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.27 -31.94 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.54 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.664 HD12 ' O ' ' C' ' 344' ' ' LEU . 3.9 mt -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -30.16 68.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -37.48 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -31.41 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -33.41 71.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.09 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.96 -32.38 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.29 -69.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.498 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.5 mp0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.91 152.6 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 33.7 m-85 -144.73 127.04 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.42 121.89 37.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' C' ' 338' ' ' PHE . 12.8 tp -118.5 151.53 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -130.66 83.91 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.633 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -78.01 131.54 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -99.13 31.6 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -138.68 132.01 5.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -76.21 -40.56 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.65 -55.6 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.543 ' HG3' HG21 ' D' ' 332' ' ' ILE . 18.4 ptp180 -55.55 -46.7 77.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.496 ' CE1' HD12 ' C' ' 330' ' ' LEU . 4.3 t80 -59.37 -40.1 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -40.87 77.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.8 mtm -63.13 -55.15 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.379 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -59.22 -32.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.31 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.261 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -31.3 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.814 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -74.18 -32.89 63.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 179.542 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -71.06 -43.2 68.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.71 -31.96 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.678 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.992 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.847 HD23 ' HE3' ' D' ' 351' ' ' LYS . 3.0 mt -77.73 -30.19 51.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.03 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.48 -36.9 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.847 ' HE3' HD23 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -76.38 -28.31 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.847 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.39 -30.41 53.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.78 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -69.96 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.545 179.972 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.1 m-85 -117.47 95.71 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -60.05 151.52 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -166.18 129.45 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.418 ' C ' HD12 ' A' ' 332' ' ' ILE . 1.6 mptt -97.68 152.98 18.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.7 mp -142.76 132.9 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -98.62 33.02 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.84 124.86 3.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.38 -47.27 14.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 332' ' ' ILE . 30.5 ttm180 -58.05 -50.56 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.3 -43.99 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.9 -31.29 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.452 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -59.68 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.322 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.482 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.6 m-85 -63.78 -26.97 68.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.665 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -37.71 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -78.49 -33.25 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.903 HD11 HD23 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -75.62 -30.64 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.441 179.53 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.3 -31.93 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.662 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.04 -36.44 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -68.44 -39.99 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.54 -30.67 70.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.84 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -65.93 -31.49 72.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -32.67 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.45 61.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -34.85 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 -36.24 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 62.51 147.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -154.87 108.4 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 20.1 m-85 -82.65 151.4 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -156.19 151.77 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -120.47 108.97 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.49 101.03 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.47 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.67 127.29 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 30.7 ttt85 -71.01 -36.1 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.26 -46.71 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -57.23 -42.6 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.9 t80 -60.69 -48.27 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.91 -34.39 59.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -58.76 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.282 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 5.1 m-85 -59.08 -30.1 67.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HD3' ' CE2' ' B' ' 338' ' ' PHE . 5.1 tpt85 -66.56 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.19 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.42 -30.04 47.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.026 179.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.57 HD23 HD21 ' C' ' 344' ' ' LEU . 0.1 OUTLIER -74.35 -39.34 62.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.518 179.529 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.29 -38.32 78.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.32 -38.16 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.81 64.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' B' ' 344' ' ' LEU . 12.1 mt -73.82 -32.48 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -68.6 -31.79 71.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.3 -34.24 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -65.26 -35.87 82.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -35.27 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.8 -31.2 66.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.64 -41.44 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.23 -61.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.828 0.346 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' D' ' 333' ' ' ARG . 20.5 m-85 -96.11 151.61 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.61 105.46 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' D' ' 331' ' ' LYS . 29.6 m-85 -69.95 122.48 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' D' ' 338' ' ' PHE . 9.0 tp -122.68 108.17 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 84.13 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.63 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.7 mp -74.0 135.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.54 33.68 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.443 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.34 125.74 3.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -65.19 -47.26 77.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.16 -43.78 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.661 ' CG ' HD13 ' D' ' 348' ' ' LEU . 10.2 mtm180 -57.76 -46.82 83.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.4 t80 -59.96 -47.71 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.423 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.22 -32.88 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.427 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.3 ttm -66.95 -58.09 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.374 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.97 -30.45 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -35.65 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.235 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -80.39 -31.97 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.191 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.721 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -76.66 -31.82 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.39 179.506 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -74.27 -40.78 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.55 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.476 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 tp10 -72.37 -36.62 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.571 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.16 65.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.838 HD13 ' HG3' ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.23 -38.03 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.62 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -30.55 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.476 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.62 -38.33 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -33.14 71.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.88 -42.73 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.22 66.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.1 -31.49 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.63 32.82 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 60.59 111.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 21.5 m-85 -127.25 114.67 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -72.76 142.17 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 14.0 tp -144.32 102.2 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.416 ' HG3' ' CZ ' ' C' ' 329' ' ' PHE . 24.9 tttt -78.1 83.95 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.542 HD13 ' HD2' ' D' ' 341' ' ' PHE . 4.4 mt -79.91 120.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' C' ' 327' ' ' TYR . 7.5 ptt180 -96.38 74.67 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.5 134.27 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -50.59 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 -40.88 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.838 ' HG3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.38 -49.55 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.7 -46.88 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.373 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -55.55 -32.55 63.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.437 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.3 ttp -67.19 -59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.247 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.542 ' HD2' HD13 ' D' ' 332' ' ' ILE . 3.7 m-85 -60.61 -29.14 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -34.52 75.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 0.0 110.253 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -80.68 -30.86 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.301 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.903 HD23 HD11 ' A' ' 344' ' ' LEU . 2.9 mp -77.73 -31.96 52.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.597 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -76.59 -38.14 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.99 -31.24 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.58 -32.15 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.993 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.661 HD13 ' CG ' ' C' ' 337' ' ' ARG . 6.9 mt -75.74 -31.88 59.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -71.71 -30.06 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -36.55 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -68.53 -31.53 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.52 -31.67 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.93 -31.37 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.1 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.505 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' B' ' 333' ' ' ARG . 19.3 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.79 0.329 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.91 113.93 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HG3' ' B' ' 331' ' ' LYS . 63.7 m-85 -74.42 144.4 44.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.651 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.5 tp -136.23 119.54 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.99 102.26 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.58 HD12 ' HE1' ' A' ' 341' ' ' PHE . 28.0 mm -89.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 36.73 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.82 144.98 12.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -65.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.82 -36.46 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.506 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -60.51 -53.67 54.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 179.703 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' HD13 ' B' ' 330' ' ' LEU . 8.0 t80 -62.61 -45.67 91.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.867 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -56.8 -30.86 64.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . 0.53 ' HE3' ' HE2' ' A' ' 341' ' ' PHE . 3.0 tmm? -67.38 -61.2 2.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.421 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' A' ' 332' ' ' ILE . 2.7 m-85 -60.73 -27.78 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -37.78 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -78.23 -31.54 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.34 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.64 -32.84 58.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.482 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.23 -39.68 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.676 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.98 -31.74 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -74.96 -31.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -74.02 -37.69 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.773 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.69 -31.21 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.92 -35.47 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -60.68 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.88 -33.49 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.71 -31.43 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -76.39 -31.66 58.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.13 33.67 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 61.64 153.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.27 94.74 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.35 152.57 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.512 HD23 HD11 ' B' ' 332' ' ' ILE . 13.6 tp -156.37 115.52 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 329' ' ' PHE . 8.7 ttmt -93.67 102.98 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.512 HD11 HD23 ' B' ' 330' ' ' LEU . 3.7 mp -100.59 140.4 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' A' ' 327' ' ' TYR . 45.5 mtp180 -105.94 72.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -173.62 134.56 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -75.93 -38.56 57.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.06 -47.29 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.757 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -48.56 78.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.707 179.85 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.651 ' CE1' HD13 ' A' ' 330' ' ' LEU . 9.3 t80 -61.01 -45.65 93.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.502 179.658 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.62 -58.85 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.245 179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.34 -29.87 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.675 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -70.54 -37.38 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.304 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.07 -31.17 44.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.799 ' O ' HD23 ' B' ' 348' ' ' LEU . 87.8 mt -76.77 -29.64 56.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -76.15 -40.05 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.95 -30.99 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.15 -30.65 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.0 mm? -75.11 -36.51 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.14 -30.57 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -76.86 -32.03 57.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.94 -31.67 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.74 -31.41 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.28 70.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.0 -32.25 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.64 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.976 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 8.8 pt-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -84.29 153.04 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 51.2 m-85 -130.34 148.57 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -112.32 152.75 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.592 HD13 ' CE2' ' D' ' 338' ' ' PHE . 6.3 tp -163.33 147.4 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.409 ' HD3' ' CD2' ' D' ' 327' ' ' TYR . 22.1 ttmt -114.83 128.62 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -115.56 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.3 ptm180 -62.9 -30.55 71.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.07 132.87 11.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -71.53 -46.85 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.67 -38.66 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.768 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.87 -48.65 80.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.6 t80 -58.85 -47.13 85.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -33.51 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.476 ' O ' HD12 ' C' ' 344' ' ' LEU . 30.4 ttm -66.62 -59.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.2 m-85 -60.3 -28.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.28 -34.29 75.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.251 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -81.06 -31.61 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.286 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.66 HD23 HD21 ' B' ' 344' ' ' LEU . 3.0 mp -77.43 -30.87 53.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -77.57 -39.5 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.67 -28.18 55.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.19 -29.33 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.539 HD13 ' CG ' ' D' ' 337' ' ' ARG . 14.0 mt -77.32 -36.97 53.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.79 -28.18 61.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -32.34 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -66.53 -31.72 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.46 -34.45 75.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -67.48 -33.15 74.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.17 -68.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD2' ' HD3' ' C' ' 331' ' ' LYS . 76.8 m-85 61.04 112.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.442 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 3.4 m-85 -121.71 91.96 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 150.03 48.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.5 tp -168.1 134.61 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 131.66 54.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.481 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -108.07 142.38 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 31.71 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.18 118.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -60.7 -37.38 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -73.32 -46.37 49.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -46.89 81.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.592 ' CE2' HD13 ' C' ' 330' ' ' LEU . 10.7 t80 -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.63 -34.25 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.615 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -59.81 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.446 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.8 m-85 -60.98 -27.69 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -69.55 -36.55 76.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.189 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.17 -31.57 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.239 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.653 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -76.6 -29.04 56.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.479 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -76.39 -41.72 46.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.42 ' O ' HD12 ' D' ' 350' ' ' LEU . 15.0 mt-10 -74.59 -32.1 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.68 49.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.99 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' C' ' 337' ' ' ARG . 6.1 mt -77.11 -31.31 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.5 -29.54 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.42 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.5 mt -75.23 -38.93 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.668 ' HD2' HD23 ' D' ' 348' ' ' LEU . 9.7 ptpt -71.14 -30.51 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.86 -30.97 66.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.72 -31.24 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.448 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.44 -30.91 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -98.1 36.64 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 23.8 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -155.46 95.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 61.4 m-85 -63.82 146.53 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.88 126.53 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 138.35 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.81 118.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -79.56 70.6 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.87 112.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -39.24 85.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.08 -44.26 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' B' ' 348' ' ' LEU . 9.1 mtm180 -57.51 -44.11 84.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.728 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.641 ' CE2' HD22 ' B' ' 330' ' ' LEU . 12.9 t80 -60.39 -49.03 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.17 -33.29 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -66.59 -58.0 6.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.322 179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.97 -31.38 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 4.2 tpt85 -71.6 -38.41 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.163 179.487 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -79.83 -29.5 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.227 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.789 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -77.57 -30.5 52.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.567 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -77.45 -40.47 43.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.36 -29.75 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.2 -31.06 38.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.783 HD13 ' NE ' ' B' ' 337' ' ' ARG . 5.8 mt -77.8 -30.03 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.688 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.37 -27.88 61.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -42.84 70.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.589 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 1.6 ptpp? -65.79 -30.24 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.67 -31.52 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -85.38 -39.33 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 78.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.797 0.332 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 60.29 108.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -114.47 100.02 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.39 127.06 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.641 HD22 ' CE2' ' A' ' 338' ' ' PHE . 27.2 tp -141.86 140.44 32.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 4.4 mptt -109.06 122.1 46.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.53 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -111.14 138.87 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 0.5 OUTLIER -98.54 31.3 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.461 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.63 114.02 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.494 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -60.21 -47.98 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -63.09 -40.56 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.783 ' NE ' HD13 ' A' ' 348' ' ' LEU . 4.0 mmp_? -57.81 -49.37 76.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.02 -44.5 78.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.28 -39.27 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . 0.497 ' HE1' HD11 ' A' ' 348' ' ' LEU . 7.8 ttm -67.23 -59.47 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.052 179.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.9 m-85 -62.06 -18.96 62.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -36.21 59.45 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.223 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HG3' HD12 ' B' ' 344' ' ' LEU . 6.7 pt-20 -80.22 -28.68 38.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.766 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -78.33 -32.32 49.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.528 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -76.12 -39.63 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.35 -31.13 60.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.06 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 337' ' ' ARG . 2.6 mt -77.13 -30.52 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.769 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.66 -28.86 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.6 -40.55 69.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.481 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 1.5 ptpp? -66.56 -29.63 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.9 -32.42 72.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.87 -31.57 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.91 -30.91 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.53 -179.956 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 2.8 tp10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.795 0.331 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -118.62 151.19 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 9.6 m-85 -145.18 112.69 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.64 144.15 54.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' D' ' 338' ' ' PHE . 15.9 tp -139.59 113.38 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' D' ' 329' ' ' PHE . 8.4 mptt -77.18 90.99 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.31 104.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -85.31 76.71 10.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.69 136.82 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -74.91 -41.06 60.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.06 -46.98 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.454 ' CG ' HD13 ' D' ' 348' ' ' LEU . 21.7 mtm180 -57.03 -45.09 83.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.8 t80 -60.14 -47.07 87.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.451 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -34.23 62.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.54 -58.42 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.313 179.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 3.5 m-85 -60.55 -29.69 69.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -68.41 -36.18 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.255 179.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -80.35 -30.49 38.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.795 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -77.52 -30.01 52.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.601 179.588 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.18 -39.47 48.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.1 -29.63 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.03 -33.69 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -74.8 -32.47 62.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -72.1 -28.95 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.22 -42.31 65.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -67.28 -31.43 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -31.67 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -31.03 69.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.0 -33.49 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.77 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.514 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 60.45 100.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.406 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.8 m-85 -107.01 89.64 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' C' ' 331' ' ' LYS . 88.3 m-85 -60.37 152.27 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' C' ' 338' ' ' PHE . 24.0 tp -161.26 138.96 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.612 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.2 mp -107.5 143.21 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.96 96.88 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.54 128.47 2.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -60.26 -50.48 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.82 -33.19 75.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -62.23 -55.37 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.545 ' CE1' HD13 ' C' ' 330' ' ' LEU . 6.1 t80 -60.82 -42.4 97.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.083 179.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.29 -32.49 68.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.441 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 mtp -67.94 -59.61 3.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.344 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.7 m-85 -62.66 -25.8 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.726 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -72.1 -37.81 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.336 179.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.85 -29.96 40.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.305 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.789 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -78.62 -30.61 46.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -78.04 -39.49 41.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -30.07 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.632 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.59 -30.73 52.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' C' ' 337' ' ' ARG . 12.9 mt -76.22 -35.18 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.99 -30.28 65.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -38.19 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' D' ' 355' ' ' ALA . 14.0 ttmm -69.73 -31.18 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -32.08 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.93 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.26 -32.21 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -105.46 31.05 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.97 103.3 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.94 121.25 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 332' ' ' ILE . 13.4 tp -132.32 134.33 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -90.77 115.92 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.983 HD11 HD23 ' A' ' 330' ' ' LEU . 29.4 mm -107.62 131.77 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.5 95.65 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 154.27 128.61 1.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -64.63 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.12 -39.11 85.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.94 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.808 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.76 -44.46 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.53 -31.89 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.376 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.33 -60.01 2.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.261 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.3 m-85 -63.07 -28.55 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.143 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.81 -32.41 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.364 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 348' ' ' LEU . 86.3 mt -71.02 -31.59 68.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.534 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -71.94 -47.63 51.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.29 -31.46 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -75.09 -31.99 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.4 mm? -71.82 -34.91 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.65 -30.47 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -44.91 83.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -60.71 -35.22 75.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.74 -31.47 69.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.74 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.36 -32.4 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.16 -43.43 82.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.425 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 8.4 pt-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -107.53 152.81 23.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' B' ' 326' ' ' GLU . 15.2 m-85 -150.35 122.01 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -73.66 148.2 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.7 tp -145.36 111.05 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -85.95 83.92 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.5 127.22 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -100.25 78.31 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.48 3.17 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.28 -42.52 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.48 -43.75 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.3 OUTLIER -58.6 -50.87 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.72 179.83 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.64 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.142 179.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.73 -32.58 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.371 179.457 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.9 ttm -66.8 -61.25 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.123 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 6.1 m-85 -58.96 -28.1 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.523 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.56 80.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.037 179.315 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.24 -32.03 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' C' ' 344' ' ' LEU . 4.0 mm? -72.36 -44.31 62.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.516 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -65.96 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.79 -43.28 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.09 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 tp -77.79 -37.16 49.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.67 -26.8 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.54 72.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -72.94 -31.73 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -76.72 -31.13 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.49 -31.21 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.19 -31.37 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.59 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.542 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.809 0.337 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 60.91 111.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 66.5 m-85 -133.15 109.37 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' D' ' 331' ' ' LYS . 50.4 m-85 -69.39 152.72 44.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.436 HD23 HD11 ' C' ' 332' ' ' ILE . 15.3 tp -165.0 118.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 108.06 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.621 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -101.49 135.64 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.03 -30.56 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.496 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -71.8 130.62 17.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -75.14 -49.66 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.1 -46.09 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.816 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.6 tpt180 -57.97 -49.34 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.747 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 7.6 t80 -62.05 -44.15 97.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.151 179.443 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.52 -33.51 66.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.9 ttm -66.03 -60.12 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.608 ' HE1' HD22 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.41 -29.23 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 179.598 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -65.2 -37.38 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.127 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -77.18 -31.48 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.679 ' CG ' HD11 ' B' ' 344' ' ' LEU . 2.0 mp -73.86 -31.15 63.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' D' ' 332' ' ' ILE . 14.8 t30 -73.14 -44.0 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.717 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.45 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -73.8 -31.91 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -36.53 70.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.4 -29.35 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.62 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -43.52 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.36 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.53 -32.71 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -74.39 -41.14 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.47 -54.33 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 179.97 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.3 139.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 15.1 m-85 -153.03 109.23 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.99 152.47 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 330' ' ' LEU . 7.6 tp -162.59 138.18 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -109.35 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.65 101.69 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 66.19 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.15 115.77 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -60.21 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.343 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.18 -48.25 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 5.8 ttm180 -56.48 -44.17 80.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 12.1 t80 -61.45 -48.64 80.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -32.27 59.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttm -66.85 -57.68 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.384 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 1.8 m-85 -61.88 -31.73 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -32.4 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.363 179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.43 -32.58 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.399 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.608 HD22 ' HE1' ' C' ' 341' ' ' PHE . 4.5 mp -73.77 -38.7 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.613 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . 0.621 ' OD1' HG23 ' C' ' 332' ' ' ILE . 53.1 t30 -68.68 -37.49 79.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.493 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt0 -72.18 -43.95 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.816 HD22 ' HG2' ' C' ' 337' ' ' ARG . 6.8 tp -72.29 -36.75 69.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.38 -29.56 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.493 HD23 ' O ' ' D' ' 346' ' ' GLU . 4.2 mm? -69.12 -49.9 52.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.578 ' HD2' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -64.31 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -70.08 -31.49 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.2 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -91.08 -35.87 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.32 -60.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.824 0.345 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.53 101.95 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.93 129.47 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 116.2 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -89.04 106.91 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 341' ' ' PHE . 3.8 mp -102.47 131.67 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -96.56 94.79 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.65 134.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -74.66 -33.57 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.765 0.317 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -75.39 -54.6 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.848 ' CG ' HD13 ' B' ' 348' ' ' LEU . 18.8 mtm180 -55.04 -41.66 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.746 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.0 t80 -61.88 -47.07 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 342' ' ' ARG . 6.0 mm-40 -55.93 -30.75 62.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -72.92 -54.15 9.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.934 0.397 . . . . 0.0 110.27 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.545 ' HE1' HG21 ' A' ' 332' ' ' ILE . 1.6 m-85 -66.91 -28.52 68.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.216 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . 0.418 ' CG ' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -79.42 -32.62 42.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.969 0.414 . . . . 0.0 110.195 179.492 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -33.51 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.227 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -74.1 -32.3 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 179.4 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.04 -43.44 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.714 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.8 pt-20 -75.01 -23.23 58.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -85.51 -29.67 24.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.8 mm? -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 179.766 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -31.76 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.08 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 350' ' ' LEU . 3.6 pp -80.1 -29.94 39.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.473 ' N ' HD12 ' A' ' 350' ' ' LEU . 4.6 ttmm -78.52 -29.9 46.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.17 -31.06 60.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.42 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.41 -32.43 37.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -57.05 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.17 106.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -113.03 114.37 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -68.81 151.61 46.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HD11 ' B' ' 332' ' ' ILE . 9.0 tp -160.03 103.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -71.79 103.57 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.839 HD11 HD23 ' B' ' 330' ' ' LEU . 27.6 mm -88.12 115.5 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 78.18 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.43 141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -73.94 -56.54 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.03 -37.8 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -59.72 -51.92 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.36 -45.25 94.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.246 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -56.44 -31.84 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -67.01 -61.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.103 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' B' ' 344' ' ' LEU . 6.2 m-85 -59.29 -28.45 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -68.64 -34.85 76.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.229 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.56 -30.99 41.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' B' ' 348' ' ' LEU . 15.5 mt -75.23 -30.24 60.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.615 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -75.83 -43.13 47.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.666 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.51 -30.05 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -31.3 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.848 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -75.99 -31.22 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.902 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.67 -30.18 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.36 82.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . 0.507 ' HZ2' HD23 ' B' ' 348' ' ' LEU . 9.3 mttp -60.31 -38.66 84.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -35.87 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.83 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -84.92 -36.81 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.09 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.472 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 60.78 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -124.2 117.97 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . 0.43 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 87.3 m-85 -64.46 127.26 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.72 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -132.0 98.15 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -99.54 105.75 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.599 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -103.26 137.04 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 31.06 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.498 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -125.37 129.32 6.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -75.52 -42.48 52.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -73.93 -50.45 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -57.29 -40.37 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.728 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.33 -47.44 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.61 -34.62 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.697 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 tpp -66.17 -57.52 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.0 m-85 -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -37.01 84.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.221 179.452 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.36 -32.65 55.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.354 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 344' ' ' LEU . 66.1 mt -73.61 -29.32 62.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.589 179.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.29 -44.64 51.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -32.07 66.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.494 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -77.24 -30.21 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.411 HD12 ' HD2' ' D' ' 337' ' ' ARG . 14.6 mt -75.78 -31.18 59.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.92 -31.19 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.22 -41.65 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -31.54 72.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.94 -34.28 77.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.72 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -81.02 -41.95 21.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.56 36.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.537 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.6 147.7 26.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -134.1 95.88 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.79 137.01 56.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.529 HD23 HD11 ' D' ' 332' ' ' ILE . 14.3 tp -149.43 99.84 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 15.3 ttmt -87.59 85.89 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -73.27 149.67 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -110.6 38.5 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.9 141.1 10.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -74.77 -66.98 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.9 -37.7 77.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.2 OUTLIER -60.52 -53.46 57.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.826 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -61.91 -43.98 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.76 -31.99 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.32 179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.9 -60.17 2.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.287 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.47 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.2 m-85 -62.46 -28.89 70.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.716 179.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -71.71 -37.2 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.169 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.86 -31.76 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.256 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.813 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.4 mt -75.5 -30.05 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.587 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.89 -42.1 58.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.9 mm-40 -72.37 -32.72 66.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -75.57 -30.69 59.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.813 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.61 -34.09 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.46 -29.36 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -70.56 -44.97 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.595 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -65.88 -31.03 71.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.96 -31.45 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.68 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -30.12 24.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -111.11 36.45 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.513 179.991 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.796 0.332 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -139.2 89.29 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' B' ' 329' ' ' PHE . 0.1 OUTLIER -65.79 129.5 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.874 HD13 ' CE1' ' B' ' 338' ' ' PHE . 17.2 tp -126.96 124.38 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 83.67 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.9 mp -79.68 143.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -109.93 74.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.33 122.93 0.9 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.04 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.33 -49.49 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.1 -48.99 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 179.832 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.4 t80 -61.59 -43.49 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.185 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.71 -34.09 67.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -59.35 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.22 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.3 m-85 -63.41 -29.7 70.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.4 -33.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.072 179.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -81.54 -31.46 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 179.254 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.732 HD11 HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.21 -33.01 56.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 179.518 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -75.93 -40.38 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.438 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -72.03 -32.45 67.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.646 179.708 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.82 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 344' ' ' LEU . 12.3 mt -69.15 -39.77 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.666 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.61 -30.79 71.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -65.24 -40.57 94.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -59.95 -33.01 71.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -38.3 83.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.32 84.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -65.06 -32.27 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.81 -71.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.537 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.8 0.334 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 60.55 106.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 17.4 m-85 -116.77 123.63 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 329' ' ' PHE . 68.4 m-85 -77.82 134.46 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.825 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -139.07 115.81 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -90.74 103.24 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.825 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -103.11 99.43 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -71.4 79.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.26 135.11 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -74.5 -66.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -59.73 -37.35 78.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 tpp180 -59.31 -51.23 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.1 t80 -59.3 -46.72 87.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.257 179.587 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -55.19 -32.43 62.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.4 ttp -66.71 -60.85 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.187 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' B' ' 344' ' ' LEU . 7.0 m-85 -58.75 -27.48 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -67.9 -37.17 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.028 179.275 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.05 -32.64 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' C' ' 344' ' ' LEU . 32.7 mt -71.51 -31.18 66.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.504 179.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.08 -46.87 55.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -66.63 -31.3 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.34 -37.03 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -66.89 -38.42 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.737 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -30.39 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.71 -38.41 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.1 -36.65 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -59.82 -33.04 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.69 -33.06 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -80.25 -40.88 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.84 32.03 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -159.21 152.54 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 10.5 m-85 -141.58 98.71 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -60.21 116.61 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.579 HD12 ' CE2' ' D' ' 338' ' ' PHE . 4.0 tt -117.96 106.24 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' D' ' 327' ' ' TYR . 10.1 tttt -77.97 109.59 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.457 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mt -107.48 120.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 10.5 ttt-85 -100.37 36.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.457 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.36 114.83 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.471 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.21 -44.23 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.598 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.7 ttm180 -61.99 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.431 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.09 -45.59 92.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.36 -34.71 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.29 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.281 179.456 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' D' ' 341' ' ' PHE . 3.2 m-85 -61.33 -29.68 70.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.768 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -69.73 -36.89 76.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.971 0.415 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -78.13 -32.32 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.299 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' B' ' 344' ' ' LEU . 66.2 mt -76.06 -33.29 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.545 179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.26 -37.82 68.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.505 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -40.24 84.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -71.17 -26.37 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.858 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.3 mp -75.98 -45.46 34.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.87 -28.47 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -31.08 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 11.3 mttm -68.46 -36.41 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.88 -36.09 80.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.64 87.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.58 -39.37 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.39 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' HE2' ' C' ' 331' ' ' LYS . 45.7 m-85 -102.78 153.0 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -144.51 89.73 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.13 152.87 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.99 111.33 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -86.63 83.59 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -70.87 131.18 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -102.4 35.76 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . 0.48 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.36 125.9 3.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -60.63 -66.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.76 -38.66 82.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 45.2 ttp180 -60.3 -53.44 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' C' ' 330' ' ' LEU . 7.4 t80 -62.14 -43.79 98.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.034 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.57 -32.02 66.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.376 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD12 ' D' ' 344' ' ' LEU . 5.5 ttm -67.52 -60.43 2.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.189 179.404 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 2.7 m-85 -60.42 -27.16 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -69.67 -40.6 76.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.305 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -32.27 59.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 344' ' ' LEU . 1.5 mp -74.41 -31.6 62.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.472 179.519 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -71.56 -41.98 68.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.91 -30.1 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.01 -27.77 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.035 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.717 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -79.54 -31.26 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.0 -27.61 57.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.09 -38.63 61.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.498 ' HD2' HD23 ' D' ' 348' ' ' LEU . 19.7 ptpt -68.39 -30.73 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.93 -31.52 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.13 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -89.24 -34.52 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.45 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 13.5 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.859 0.362 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.53 138.66 50.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . 0.489 ' C ' HD23 ' A' ' 330' ' ' LEU . 23.3 m-85 -109.31 151.75 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.788 HD12 HD11 ' A' ' 332' ' ' ILE . 0.3 OUTLIER -153.54 139.63 18.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 6.1 tttt -106.16 91.55 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 0.788 HD11 HD12 ' A' ' 330' ' ' LEU . 30.3 mm -72.11 125.95 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' B' ' 327' ' ' TYR . 25.0 ttp85 -98.69 32.48 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.58 128.04 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.88 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -36.62 79.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' B' ' 348' ' ' LEU . 2.2 ttm180 -58.78 -49.37 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.0 t80 -58.56 -48.6 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 179.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.55 -32.85 59.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -66.84 -58.46 4.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.337 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -60.19 -30.48 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.94 -39.69 87.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.9 -31.81 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.233 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.796 HD21 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.05 -30.54 62.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 179.552 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -72.69 -44.31 61.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.58 -31.26 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.801 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.67 -29.12 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -38.04 86.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.519 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 0.5 OUTLIER -61.48 -33.48 73.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.89 -32.21 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.54 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -30.96 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.03 -63.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.436 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 7.6 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.795 0.331 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 73.6 m-85 -139.95 152.83 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 326' ' ' GLU . 40.9 m-85 -145.46 150.82 37.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 17.5 m-85 -108.43 152.2 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 338' ' ' PHE . 17.0 tp -156.39 152.75 27.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . 0.584 ' C ' HD12 ' B' ' 332' ' ' ILE . 5.1 tmmm? -143.75 145.59 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.584 HD12 ' C ' ' B' ' 331' ' ' LYS . 3.4 mp -145.33 149.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -98.9 31.3 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.19 118.81 2.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.31 75.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -74.41 -46.8 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . 0.629 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.7 ttm180 -57.74 -45.81 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 330' ' ' LEU . 9.7 t80 -60.24 -45.96 91.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.311 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.26 -35.3 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttm -65.27 -59.53 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.244 179.413 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 6.7 m-85 -59.0 -30.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -66.03 -33.83 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.015 0.436 . . . . 0.0 110.148 179.4 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.1 -27.24 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.24 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.622 ' O ' HD12 ' B' ' 348' ' ' LEU . 3.5 mp -82.09 -38.05 25.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.74 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 49.0 p30 -79.85 -24.0 41.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.63 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . 0.469 ' O ' HD12 ' B' ' 350' ' ' LEU . 53.1 tt0 -82.97 -33.34 26.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.566 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.62 -32.64 47.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' O ' ' B' ' 344' ' ' LEU . 2.3 mt -77.58 -34.14 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.9 -30.11 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.5 mt -73.49 -39.52 64.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -67.38 -31.11 71.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.61 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -31.7 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.72 73.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.521 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.865 0.364 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -103.97 153.0 21.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.5 126.28 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -87.69 153.0 21.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -170.92 124.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.483 ' O ' HD13 ' C' ' 332' ' ' ILE . 40.4 mtpt -88.25 143.4 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.54 HD12 ' CE1' ' C' ' 341' ' ' PHE . 27.0 mm -126.38 114.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -92.73 86.28 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.9 140.82 3.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -72.08 -43.81 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.2 -43.91 60.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' C' ' 332' ' ' ILE . 19.7 ttp180 -58.7 -51.21 70.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.635 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 7.7 t80 -62.01 -43.98 97.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.15 179.394 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.38 -32.42 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -67.34 -59.81 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.263 179.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' C' ' 332' ' ' ILE . 2.0 m-85 -62.89 -27.97 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.44 -38.56 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -31.2 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.317 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD12 ' C' ' 348' ' ' LEU . 44.0 mt -77.19 -29.58 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.647 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.623 ' OD1' HG23 ' D' ' 332' ' ' ILE . 53.1 t30 -76.09 -38.66 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.723 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . 0.644 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -73.58 -34.97 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.54 -32.71 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.765 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -74.1 -30.32 62.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -70.03 -30.02 67.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . 0.644 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -66.83 -43.76 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . 0.59 ' HD3' HD23 ' C' ' 348' ' ' LEU . 19.9 ptmt -68.84 -31.16 69.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.97 -34.46 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.49 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -30.94 48.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.74 60.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 60.77 111.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 5.4 m-85 -132.46 109.14 9.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -62.45 151.7 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 1.094 HD23 HD11 ' D' ' 332' ' ' ILE . 13.8 tp -155.77 124.48 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -109.78 92.72 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 1.094 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -90.75 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 72.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.76 120.6 0.88 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -45.09 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.22 -45.99 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.623 ' HG3' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -56.64 -45.71 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.733 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.477 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . 0.401 ' HA ' ' HG2' ' D' ' 342' ' ' ARG . 6.9 mm-40 -55.6 -29.02 58.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.517 ' SD ' HD13 ' C' ' 344' ' ' LEU . 31.1 ttm -71.38 -57.0 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.089 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.0 m-85 -63.84 -32.18 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.23 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -74.34 -31.97 62.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.963 0.411 . . . . 0.0 110.094 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.92 -32.11 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.147 179.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.13 -34.61 59.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.356 179.452 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -72.8 -39.92 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' D' ' 350' ' ' LEU . 3.7 mm-40 -72.63 -37.28 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.519 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -73.85 -30.52 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.705 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -73.66 -32.85 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.688 179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.73 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . 0.583 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.7 OUTLIER -66.21 -42.34 88.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.26 -31.27 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.71 -38.68 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.14 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.97 -31.64 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.14 -32.7 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.86 0.362 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -126.55 153.07 45.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -128.39 142.85 50.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 3.7 tp -141.31 113.07 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -89.14 83.69 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -91.8 123.46 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -86.97 68.48 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.1 136.39 4.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -76.22 -47.05 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.71 -44.03 62.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 337' ' ' ARG . . . . . 0.718 ' HD3' HD13 ' B' ' 348' ' ' LEU . 17.7 ttp180 -58.39 -50.94 71.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.57 -45.52 92.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.964 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.77 -31.4 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttm -67.62 -59.93 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 341' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 332' ' ' ILE . 2.2 m-85 -61.41 -27.88 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.44 71.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.287 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.65 -32.91 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.339 179.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 348' ' ' LEU . 76.7 mt -75.31 -29.43 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.519 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -73.3 -41.2 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.672 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 346' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 350' ' ' LEU . 6.3 tt0 -70.42 -38.29 74.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 347' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -72.2 -31.96 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.0 mm? -71.52 -32.69 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.696 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.8 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 350' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -66.59 -37.39 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 351' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 10.5 mtpp -60.45 -35.78 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.39 -39.08 82.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.08 70.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.13 -52.47 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.34 37.35 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.509 179.965 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.823 0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 62.91 144.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -153.53 154.02 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -156.81 119.09 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 330' ' ' LEU . . . . . 0.529 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.4 pt? -115.25 142.03 47.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -99.22 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 332' ' ' ILE . . . . . 0.554 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.9 mp -93.82 130.99 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.89 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 334' ' ' GLY . . . . . 0.554 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -131.67 126.25 4.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.469 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -66.82 -41.84 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -71.85 -46.33 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -57.57 -42.87 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.73 -48.02 83.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.518 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.23 -33.68 58.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.74 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.267 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.3 -29.41 69.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.756 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -68.92 -35.06 76.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.414 . . . . 0.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.32 -32.01 38.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.323 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 344' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -77.66 -30.2 51.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.532 179.585 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -76.57 -37.85 55.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.16 -33.7 63.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.768 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.81 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 348' ' ' LEU . . . . . 0.718 HD13 ' HD3' ' A' ' 337' ' ' ARG . 3.4 mt -75.38 -31.33 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.94 -40.19 79.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -64.33 -40.16 95.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.46 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -77.47 -33.53 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.82 -58.08 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.517 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -133.26 111.1 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.26 124.7 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.32 152.41 25.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 330' ' ' LEU . . . . . 0.942 HD21 HD11 ' C' ' 332' ' ' ILE . 48.8 tp -134.05 145.25 49.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' D' ' 329' ' ' PHE . 18.2 tttt -128.28 103.76 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 332' ' ' ILE . . . . . 0.942 HD11 HD21 ' C' ' 330' ' ' LEU . 26.5 mm -97.25 127.4 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -98.82 31.57 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 334' ' ' GLY . . . . . 0.551 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.84 143.39 12.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -74.74 -46.44 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.04 -42.07 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 337' ' ' ARG . . . . . 0.683 ' HG3' HD13 ' D' ' 348' ' ' LEU . 6.2 ttm180 -57.9 -49.18 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 338' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 330' ' ' LEU . 11.0 t80 -59.28 -46.61 88.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.373 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.31 -33.12 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.3 ttp -66.73 -59.23 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 341' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' C' ' 332' ' ' ILE . 5.4 m-85 -59.51 -29.29 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.77 -35.91 81.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.199 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -32.42 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.219 179.291 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 344' ' ' LEU . . . . . 0.792 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.8 mp -74.55 -30.82 61.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.424 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 345' ' ' ASN . . . . . 0.764 ' OD1' HG23 ' D' ' 332' ' ' ILE . 9.4 t30 -73.4 -44.35 58.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.98 70.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.789 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.87 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 348' ' ' LEU . . . . . 0.792 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -75.65 -27.3 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.71 -23.04 53.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 179.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.07 -44.12 31.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -69.05 -27.98 66.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -30.97 65.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.17 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.28 -31.4 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.79 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -130.37 152.96 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -148.88 153.06 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 329' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' D' ' 329' ' ' PHE . 4.2 m-85 -124.69 151.22 45.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 330' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 338' ' ' PHE . 3.3 tp -153.32 114.09 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -82.28 95.8 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 332' ' ' ILE . . . . . 0.764 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.9 mt -102.18 112.5 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.72 75.68 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.11 128.58 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.424 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.11 -39.45 60.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -74.56 -47.05 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 337' ' ' ARG . . . . . 0.694 ' CG ' HD13 ' C' ' 348' ' ' LEU . 3.6 ttm180 -57.53 -43.92 84.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.64 -47.51 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.357 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -32.68 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.567 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 340' ' ' MET . . . . . 0.44 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.4 mmm -67.3 -59.37 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CD2' HD13 ' D' ' 332' ' ' ILE . 2.5 m-85 -62.58 -28.35 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -34.56 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.275 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -80.85 -32.2 35.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.228 179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.7 mp -77.2 -30.66 54.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.36 -38.88 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.18 -31.66 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -76.9 -32.79 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 348' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.05 -31.5 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.882 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -71.75 -29.77 64.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -40.34 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' D' D ' 351' ' ' LYS . . . . . 0.524 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 0.1 OUTLIER -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.16 -32.12 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.72 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.79 -38.19 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.823 0.344 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -150.31 115.08 5.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -112.74 111.65 22.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -68.3 152.87 44.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.582 HD21 ' ND2' ' B' ' 345' ' ' ASN . 8.4 tp -152.38 100.72 2.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.429 ' HG2' ' CE1' ' B' ' 329' ' ' PHE . 9.5 mttp -66.28 112.08 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.449 HG21 ' HA ' ' A' ' 338' ' ' PHE . 4.2 mt -111.66 110.87 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.078 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -95.42 93.35 7.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.942 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.45 141.61 3.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 -74.18 -38.46 63.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.788 0.328 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.09 -48.25 16.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.821 ' HD3' HD13 ' B' ' 348' ' ' LEU . 8.0 ttp-105 -57.51 -49.53 76.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.668 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.811 ' CE2' HD13 ' B' ' 330' ' ' LEU . 7.6 t80 -63.5 -44.12 95.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.009 179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -57.61 -31.87 66.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.412 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.44 -60.25 2.72 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.2 179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.464 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.4 m-85 -62.41 -27.96 69.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 12.7 tpt85 -72.76 -38.13 67.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.229 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -77.98 -30.75 50.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.24 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.696 HD21 ' CG ' ' D' ' 344' ' ' LEU . 0.3 OUTLIER -74.27 -31.73 62.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.521 179.555 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.418 ' OD1' HG23 ' B' ' 332' ' ' ILE . 60.6 t30 -73.65 -44.37 57.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.645 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.45 ' O ' HD23 ' A' ' 350' ' ' LEU . 9.2 tt0 -72.02 -31.78 66.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.672 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' D' ' 347' ' ' ALA . . . -76.12 -30.72 58.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.992 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.679 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -74.28 -33.99 63.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.761 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -69.46 -33.29 72.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 346' ' ' GLU . 2.7 mm? -65.76 -37.23 85.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.33 -33.34 72.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -64.4 -34.27 77.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.43 -36.11 63.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -80.17 -33.35 38.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.46 -62.29 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.484 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 61.09 112.55 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -129.98 97.5 4.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.429 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 90.1 m-85 -60.05 136.48 58.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.811 HD13 ' CE2' ' A' ' 338' ' ' PHE . 12.7 tp -143.27 123.22 13.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.09 139.94 40.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.418 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.8 mp -136.37 129.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -81.26 60.25 4.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.59 104.68 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.58 -29.63 68.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -62.76 -52.54 62.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.499 ' HB3' ' CE2' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -60.15 -38.52 83.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.01 0.433 . . . . 0.0 110.017 179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -58.98 -45.29 90.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.373 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.01 -40.53 76.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.984 0.421 . . . . 0.0 110.088 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.434 ' HE1' HD22 ' A' ' 344' ' ' LEU . 2.3 ttm -65.87 -59.59 3.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.879 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.499 ' CE2' ' HB3' ' B' ' 337' ' ' ARG . 7.6 m-85 -59.58 -24.39 63.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.071 179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -71.44 -34.87 70.65 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.016 0.436 . . . . 0.0 110.24 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.07 -31.37 44.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.364 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.665 ' CG ' HD21 ' C' ' 344' ' ' LEU . 2.4 mp -74.87 -31.5 61.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.575 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.582 ' ND2' HD21 ' A' ' 330' ' ' LEU . 17.8 m-20 -74.86 -42.92 56.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.741 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.437 ' O ' HD12 ' B' ' 350' ' ' LEU . 11.2 mt-10 -74.38 -30.42 61.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.711 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.513 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -78.97 -29.68 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.041 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.821 HD13 ' HD3' ' A' ' 337' ' ' ARG . 4.0 mt -78.56 -30.67 46.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -76.42 -31.42 57.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.805 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.2 mt -72.37 -32.24 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.772 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.523 ' HD2' ' HB2' ' C' ' 347' ' ' ALA . 3.1 mtpm? -67.38 -31.33 71.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -33.24 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.74 -31.04 46.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.82 -30.9 19.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 351' ' ' LYS . . . -93.39 -42.18 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.116 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.531 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.831 0.348 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -90.75 138.62 31.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.402 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.5 m-85 -115.72 90.85 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.04 130.02 44.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' D' ' 338' ' ' PHE . 12.5 tp -131.34 108.26 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.0 92.22 1.64 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.68 HD12 ' CE2' ' C' ' 341' ' ' PHE . 28.9 mm -73.55 117.93 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 7.7 ttp180 -92.18 97.97 11.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 137.93 144.94 4.79 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.48 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.23 -33.19 59.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -79.14 -42.6 25.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.757 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.525 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -59.28 -51.91 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.472 ' CA ' HG21 ' C' ' 332' ' ' ILE . 7.3 t80 -62.46 -43.94 97.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.986 179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -57.06 -32.43 66.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.431 179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.2 tpp -67.05 -60.17 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.204 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.68 ' CE2' HD12 ' C' ' 332' ' ' ILE . 4.9 m-85 -59.77 -27.42 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.82 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -67.79 -35.82 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.916 0.389 . . . . 0.0 110.259 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -80.35 -31.02 38.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.36 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.665 HD21 ' CG ' ' B' ' 344' ' ' LEU . 1.1 mt -78.25 -29.56 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.571 179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -77.45 -38.35 49.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.724 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.15 -31.97 61.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.715 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.523 ' HB2' ' HD2' ' B' ' 351' ' ' LYS . . . -78.37 -33.37 48.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.762 HD13 ' CG ' ' D' ' 337' ' ' ARG . 4.0 mt -75.97 -27.83 57.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.722 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.12 -40.48 38.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.816 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.575 HD12 ' N ' ' C' ' 351' ' ' LYS . 4.4 pp -74.5 -27.57 60.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.791 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.575 ' N ' HD12 ' C' ' 350' ' ' LEU . 5.3 ttmm -76.3 -30.53 57.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.769 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -31.09 68.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.855 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.65 -32.07 73.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.109 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -69.7 -37.75 76.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.01 -59.33 2.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.331 -1.26 . . . . 0.0 112.469 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.414 ' HB3' ' CE1' ' D' ' 328' ' ' PHE . 3.1 tt0 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 8.9 m-85 -123.74 106.12 10.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.414 ' CE1' ' HB3' ' D' ' 326' ' ' GLU . 11.7 m-85 -98.46 152.87 19.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.63 118.83 33.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.449 HD23 HD11 ' D' ' 332' ' ' ILE . 25.3 tp -127.28 135.38 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.91 109.2 21.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.514 HG22 ' H ' ' D' ' 334' ' ' GLY . 26.1 mm -97.05 125.07 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.1 ptp180 -98.31 31.38 2.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.514 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -133.53 120.5 2.57 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.504 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 tpt180 -59.91 -46.09 90.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.801 0.334 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -74.08 -45.77 47.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.762 ' CG ' HD13 ' C' ' 348' ' ' LEU . 5.4 mtm180 -56.97 -45.81 82.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.709 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' C' ' 330' ' ' LEU . 11.8 t80 -60.36 -48.33 82.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.389 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -54.43 -33.56 59.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.673 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.3 ttm -66.48 -58.34 5.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.302 179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.479 ' CD1' ' CD1' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.5 -30.34 69.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.856 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -38.4 79.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.93 0.395 . . . . 0.0 110.23 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.05 -28.23 43.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.298 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.696 ' CG ' HD21 ' A' ' 344' ' ' LEU . 1.1 mp -78.53 -32.95 48.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.639 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -76.31 -36.84 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.815 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.39 -30.27 57.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.777 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 347' ' ' ALA . . . -80.18 -35.01 37.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.954 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.525 HD13 ' CD ' ' C' ' 337' ' ' ARG . 7.4 mt -78.59 -26.8 45.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.71 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -78.44 -29.33 46.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.76 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 8.0 mt -74.98 -37.99 61.76 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.829 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -72.64 -31.85 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -72.81 -31.33 64.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.41 -31.1 69.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -75.35 -31.54 60.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.41 -61.42 1.7 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.119 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.367 -1.24 . . . . 0.0 112.523 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.406 ' HG2' ' CZ ' ' A' ' 328' ' ' PHE . 2.0 tp10 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.832 0.349 . . . . 0.0 111.247 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.8 145.9 24.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 326' ' ' GLU . 61.7 m-85 -136.04 136.76 40.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.44 ' CD2' ' HG2' ' B' ' 331' ' ' LYS . 16.8 m-85 -100.58 150.06 23.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.719 HD23 HD11 ' A' ' 332' ' ' ILE . 33.0 tp -158.43 116.28 2.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HD3' ' CD1' ' B' ' 327' ' ' TYR . 5.8 ttmm -107.12 84.03 1.91 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.768 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.8 mp -75.62 138.73 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -100.84 77.09 1.83 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.878 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -179.58 117.24 0.55 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . 0.408 ' HA ' ' CZ ' ' B' ' 328' ' ' PHE . 0.0 OUTLIER -59.89 -39.07 84.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.947 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.06 -44.11 31.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.429 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 1.3 ttm180 -58.0 -50.07 74.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.679 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.415 ' CD2' ' HB3' ' B' ' 328' ' ' PHE . 8.9 t80 -60.67 -45.5 93.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.275 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.28 -33.2 65.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.494 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.406 ' CE ' HD11 ' B' ' 348' ' ' LEU . 3.0 ttp -66.66 -59.04 3.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.263 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.491 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 3.4 m-85 -61.34 -30.45 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.789 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -36.27 76.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.927 0.394 . . . . 0.0 110.146 179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.77 -31.27 46.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.159 179.263 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.798 ' O ' HD13 ' A' ' 348' ' ' LEU . 2.9 mp -76.47 -36.6 57.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.411 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -70.01 -37.29 75.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -70.7 -45.19 65.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.577 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.555 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -67.78 -29.31 68.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.715 179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 344' ' ' LEU . 4.5 mp -69.29 -38.16 78.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.638 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -61.36 -31.11 70.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.07 -48.06 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -59.18 -30.02 67.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -66.87 -31.66 72.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.04 -34.88 57.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -81.54 -31.84 32.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.22 -46.64 86.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.351 -1.249 . . . . 0.0 112.511 179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.803 0.335 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.431 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 60.5 m-85 -83.35 153.05 24.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.415 ' HB3' ' CD2' ' A' ' 338' ' ' PHE . 79.1 m-85 -142.04 109.81 5.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -81.1 129.4 34.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 14.5 tp -138.4 114.05 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.44 ' HG2' ' CD2' ' A' ' 329' ' ' PHE . 30.8 mtpt -99.92 91.2 4.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.545 HG22 ' H ' ' B' ' 334' ' ' GLY . 4.7 mt -90.04 137.12 22.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.054 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.65 31.29 2.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.545 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -130.64 121.95 3.43 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.427 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -70.5 -35.72 73.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -74.06 -49.31 24.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.544 ' CG ' HD23 ' A' ' 348' ' ' LEU . 3.9 mtm180 -56.77 -46.93 81.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.744 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.577 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.3 t80 -59.44 -44.26 92.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.388 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -54.36 -36.2 63.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.609 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 26.0 ttm -66.05 -60.45 2.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.175 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.498 ' HA ' HD12 ' B' ' 344' ' ' LEU . 5.2 m-85 -59.66 -26.95 65.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.783 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 17.6 ttp180 -68.21 -37.8 81.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.95 0.405 . . . . 0.0 110.157 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.18 -31.93 49.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.276 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' C' ' 344' ' ' LEU . 14.4 mt -74.83 -29.36 61.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.768 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -74.8 -43.41 54.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.715 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.76 -32.83 65.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.78 -29.82 45.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.406 HD11 ' CE ' ' A' ' 340' ' ' MET . 31.5 mt -79.06 -25.13 43.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.941 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -80.51 -35.0 35.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.549 ' C ' HD12 ' B' ' 350' ' ' LEU . 4.0 pp -78.23 -30.62 48.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.0 OUTLIER -79.49 -28.65 41.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.71 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -76.04 -30.44 58.41 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.9 67.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.48 -40.58 80.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.01 -72.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.504 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.781 0.324 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.433 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 67.5 m-85 -129.74 122.84 29.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -120.49 110.53 16.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' D' ' 331' ' ' LYS . 6.3 m-85 -73.21 141.27 47.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.627 HD13 ' CE2' ' D' ' 338' ' ' PHE . 15.9 tp -135.37 100.08 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.425 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.5 OUTLIER -83.96 107.97 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.625 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.7 mp -114.5 153.44 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.434 ' HG3' ' CE2' ' D' ' 327' ' ' TYR . 4.4 mtm180 -98.5 30.92 3.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -125.14 107.95 1.04 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.415 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -61.81 -44.16 97.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -64.69 -43.37 93.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.678 ' NE ' HD13 ' D' ' 348' ' ' LEU . 47.2 mmt-85 -56.85 -49.11 76.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.779 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.5 t80 -55.63 -44.05 76.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.808 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -56.18 -39.53 72.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.832 0.348 . . . . 0.0 110.53 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 3.6 tpp -67.79 -59.45 3.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.006 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 5.3 m-85 -63.72 -16.67 61.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.388 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' C' ' 338' ' ' PHE . 0.0 OUTLIER -81.75 -32.74 31.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.91 0.386 . . . . 0.0 110.227 179.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -81.02 -31.58 34.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.38 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.648 HD22 HD22 ' B' ' 344' ' ' LEU . 11.7 mt -77.6 -31.21 52.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.57 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -77.14 -37.44 53.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.73 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.39 -25.29 50.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -81.97 -30.34 31.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.946 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.684 HD13 ' HG3' ' D' ' 337' ' ' ARG . 7.7 mt -78.93 -33.54 45.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.786 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.9 -29.27 58.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.726 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -30.5 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.744 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.408 ' HG2' HD21 ' B' ' 350' ' ' LEU . 20.0 mtpt -67.24 -33.72 75.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.68 -41.15 98.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.98 -31.36 72.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -71.81 -42.85 66.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.69 -32.64 58.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.473 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.776 0.322 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.434 ' CE2' ' HG3' ' C' ' 333' ' ' ARG . 8.4 m-85 60.69 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.5 m-85 -118.64 108.87 15.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.425 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 10.9 m-85 -75.7 111.74 11.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.87 HD23 HD11 ' D' ' 332' ' ' ILE . 15.8 tp -107.51 104.87 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.409 ' HE2' ' CD1' ' C' ' 327' ' ' TYR . 32.5 tttt -71.5 102.65 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.87 HD11 HD23 ' D' ' 330' ' ' LEU . 25.1 mm -86.11 151.56 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.084 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 10.5 ptm180 -132.49 78.56 1.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 153.25 127.57 1.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.493 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.0 ptt85 -60.49 -35.97 77.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.763 0.316 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.15 -44.14 54.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.684 ' HG3' HD13 ' C' ' 348' ' ' LEU . 2.5 ttm180 -57.36 -48.02 80.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.737 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.627 ' CE2' HD13 ' C' ' 330' ' ' LEU . 11.4 t80 -59.87 -47.12 87.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.378 179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.46 -32.62 62.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.579 179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 37.3 ttm -67.06 -59.12 3.73 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.217 179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CE1' HD12 ' D' ' 332' ' ' ILE . 3.7 m-85 -61.53 -29.94 70.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.79 -34.8 74.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.137 179.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -80.71 -31.57 36.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.2 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.73 ' O ' HD12 ' D' ' 348' ' ' LEU . 81.0 mt -75.66 -30.45 59.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.538 179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -75.47 -43.02 51.59 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.589 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -73.54 -30.16 62.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.753 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.51 -27.11 51.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.95 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.73 HD12 ' O ' ' D' ' 344' ' ' LEU . 3.0 mt -77.07 -38.08 53.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -74.97 -23.66 58.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.702 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.49 -34.5 58.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.85 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.555 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 14.7 ptpt -75.36 -30.79 60.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -75.48 -31.94 60.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.58 -31.55 65.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.096 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -69.58 -32.1 70.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.61 -63.02 1.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.123 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.353 -1.248 . . . . 0.0 112.441 179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.833 0.349 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.425 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 4.2 m-85 60.84 110.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.421 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 6.5 m-85 -137.25 105.27 5.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.428 ' CE2' ' HE3' ' B' ' 331' ' ' LYS . 78.8 m-85 -71.14 152.91 42.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' B' ' 338' ' ' PHE . 11.9 tp -155.64 110.71 2.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.448 ' CG ' ' CE2' ' B' ' 329' ' ' PHE . 3.8 mtmp? -71.64 83.97 0.87 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' B' ' 330' ' ' LEU . 3.9 mt -79.23 120.73 31.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.08 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ttp-105 -92.65 129.65 38.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 117.37 142.29 7.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -36.22 56.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.833 0.349 . . . . 0.0 110.941 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -78.8 -45.48 20.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.776 ' HD3' HD13 ' B' ' 348' ' ' LEU . 19.1 ttp180 -58.33 -50.4 73.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.67 179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.437 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 7.7 t80 -62.88 -44.17 96.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.119 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -57.6 -31.73 66.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.46 179.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.646 ' CE ' HD22 ' B' ' 344' ' ' LEU . 8.3 mtp -67.65 -59.25 3.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.315 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.461 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.7 m-85 -63.47 -28.05 69.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.751 179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -74.32 -37.99 63.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.367 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.52 -32.51 48.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.446 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.07 -28.37 48.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.584 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -77.18 -36.57 54.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.727 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -75.64 -36.36 60.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.716 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.49 -29.54 56.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.453 HD11 ' HE1' ' B' ' 340' ' ' MET . 25.4 mt -77.23 -30.82 54.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.772 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.96 -30.44 63.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.807 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.84 -37.09 78.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.547 ' CE ' ' HB2' ' D' ' 347' ' ' ALA . 2.5 ttmm -63.6 -38.04 89.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -60.39 -33.04 71.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.1 -31.56 62.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -73.73 -34.08 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -82.06 -31.28 30.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.083 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.502 -179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.868 0.366 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 60.1 106.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.8 m-85 -110.78 104.55 13.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.448 ' CE2' ' CG ' ' A' ' 331' ' ' LYS . 57.0 m-85 -61.15 142.93 56.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.544 HD22 HG13 ' B' ' 332' ' ' ILE . 1.4 tt -141.84 109.76 5.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.428 ' HE3' ' CE2' ' A' ' 329' ' ' PHE . 0.8 OUTLIER -79.08 83.97 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.544 HG13 HD22 ' B' ' 330' ' ' LEU . 4.5 mt -80.43 106.55 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.067 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.62 77.48 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.52 133.22 1.6 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 9.5 ptt180 -73.28 -38.94 65.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.769 0.318 . . . . 0.0 110.906 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -71.06 -45.53 63.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -46.78 82.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.725 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.9 t80 -58.47 -45.87 87.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.503 179.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -53.94 -36.68 63.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.587 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.453 ' HE1' HD11 ' A' ' 348' ' ' LEU . 1.4 ttp -65.76 -59.87 3.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.156 179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.453 ' CD2' ' CD2' ' A' ' 341' ' ' PHE . 4.7 m-85 -60.48 -27.58 67.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.779 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -34.94 76.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.895 0.379 . . . . 0.0 110.134 179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -80.46 -31.26 37.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.195 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.814 HD21 ' HG ' ' C' ' 344' ' ' LEU . 0.3 OUTLIER -75.91 -31.02 58.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.467 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.34 -42.02 55.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.638 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -72.79 -31.13 64.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.725 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.86 -31.15 59.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.045 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.776 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.4 mt -74.44 -35.26 63.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -71.1 -27.71 63.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.781 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' B' ' 350' ' ' LEU . 0.2 OUTLIER -72.49 -43.21 63.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.945 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -65.98 -30.69 71.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.945 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -68.2 -32.17 72.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.01 -32.43 51.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.05 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -85.75 -31.52 22.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.98 -32.85 71.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.095 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.816 0.341 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 18.6 m-85 -88.88 150.27 22.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -140.75 93.58 2.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.58 130.78 35.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.545 ' HG ' HD11 ' C' ' 332' ' ' ILE . 22.7 tp -132.99 132.09 41.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.0 ttpt -110.3 120.26 41.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.545 HD11 ' HG ' ' C' ' 330' ' ' LEU . 3.7 mp -130.82 137.86 54.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.2 ptt180 -98.47 34.26 2.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -114.73 135.86 12.72 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -75.18 -67.28 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -59.79 -39.12 83.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' D' ' 348' ' ' LEU . 20.1 ttp180 -59.63 -52.41 65.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.603 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.496 ' CE2' HD13 ' D' ' 330' ' ' LEU . 8.4 t80 -61.28 -45.4 94.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.104 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.87 -31.8 65.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.386 179.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttp -67.11 -59.62 3.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.332 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.466 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 2.0 m-85 -62.86 -28.79 70.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.766 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -73.29 -37.19 66.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.371 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.64 -31.36 41.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.339 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.814 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.3 OUTLIER -77.42 -30.17 53.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.539 179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -76.28 -39.3 54.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.677 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.747 ' O ' HD23 ' C' ' 350' ' ' LEU . 12.1 mt-10 -72.16 -31.81 66.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.725 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.726 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -74.07 -36.5 64.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.022 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.751 HD23 ' O ' ' C' ' 344' ' ' LEU . 2.6 mm? -70.96 -33.03 70.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.664 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -67.89 -30.84 70.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.821 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.747 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.6 mm? -68.96 -47.48 65.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 0.6 OUTLIER -62.65 -31.02 71.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -71.3 -33.26 69.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.38 -31.16 70.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -88.68 -34.0 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -100.6 -67.29 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.501 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.879 0.371 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -158.22 152.92 24.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 9.1 m-85 -140.08 92.05 2.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 48.2 m-85 -71.53 149.49 45.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.594 ' CD2' HD11 ' D' ' 332' ' ' ILE . 6.8 tp -142.09 116.5 9.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.42 ' HE2' ' CE1' ' C' ' 327' ' ' TYR . 0.0 OUTLIER -110.99 106.92 16.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.594 HD11 ' CD2' ' D' ' 330' ' ' LEU . 23.1 mt -120.61 150.53 23.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -104.23 36.85 2.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -122.97 127.9 6.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -75.21 -47.11 29.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.755 0.312 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -70.56 -38.58 74.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.442 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.8 OUTLIER -60.08 -52.58 64.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.876 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -58.81 -43.2 90.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.236 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -55.6 -35.69 66.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.572 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 14.6 ttp -66.08 -60.11 3.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.177 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.442 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 5.0 m-85 -59.6 -26.81 65.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.687 179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -66.82 -36.68 82.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.181 179.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.03 -34.19 57.3 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.377 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.651 ' O ' HD12 ' D' ' 348' ' ' LEU . 53.4 mt -73.83 -29.43 62.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.559 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -73.52 -42.58 61.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.72 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -72.13 -33.73 68.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.739 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -76.48 -30.4 57.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.015 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' C' ' 337' ' ' ARG . 4.2 mt -76.24 -30.51 57.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -73.1 -30.06 63.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.9 mt -70.77 -35.78 72.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -66.31 -38.57 88.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -32.89 73.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.03 -35.18 61.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -81.28 -32.58 33.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -87.44 -31.93 19.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.111 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.534 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.774 0.321 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.433 ' CD2' ' HE2' ' B' ' 331' ' ' LYS . 84.4 m-85 -89.58 153.25 20.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -146.01 92.03 2.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -61.41 141.07 57.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.563 HD23 HD11 ' A' ' 332' ' ' ILE . 16.5 tp -159.67 123.37 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 36.3 mtmt -86.83 121.44 29.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.563 HD11 HD23 ' A' ' 330' ' ' LEU . 25.2 mm -105.13 142.33 18.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.092 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -118.21 101.56 8.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 151.21 122.19 1.02 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 5.1 ptm85 -58.94 -44.06 91.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.766 0.317 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -76.59 -47.03 23.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.751 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.48 ' HG3' ' CE2' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -58.25 -49.46 77.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -64.18 -45.24 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.864 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.53 64.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.379 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.2 ttm -67.08 -61.04 2.13 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.199 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 344' ' ' LEU . 5.2 m-85 -59.63 -27.74 66.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.12 -38.72 79.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.944 0.402 . . . . 0.0 110.223 179.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.18 -32.27 49.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.213 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' D' ' 344' ' ' LEU . 8.2 mt -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.497 179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -74.94 -43.78 52.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.715 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -71.85 -31.41 66.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.454 ' HB2' ' NZ ' ' D' ' 351' ' ' LYS . . . -77.29 -31.11 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.798 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.5 mm? -76.24 -30.37 57.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.844 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 -73.69 -31.14 63.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.12 -34.05 70.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -66.1 -32.04 73.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -66.05 -35.97 81.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.66 -31.45 65.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -73.03 -31.91 64.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.11 -53.71 3.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.088 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.525 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.4 mm-40 . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 39.8 m-85 -104.92 152.91 22.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 13.9 m-85 -149.93 111.06 4.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -67.42 139.02 57.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 13.4 tp -152.19 145.36 24.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.433 ' HE2' ' CD2' ' A' ' 327' ' ' TYR . 3.7 ptmm? -108.63 146.4 33.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.8 mp -124.66 122.54 63.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.5 ttm105 -97.43 37.23 1.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.41 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.59 120.8 1.23 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.74 -46.92 83.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.831 0.348 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -69.18 -44.1 72.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.409 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 5.6 ttm180 -58.14 -42.87 86.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.784 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.28 -48.2 82.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.528 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -53.92 -35.26 61.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.695 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.8 ttp -65.5 -57.61 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.386 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.409 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 3.8 m-85 -59.85 -30.67 69.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.685 179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.18 -35.29 80.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.153 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.23 -32.47 49.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.308 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.825 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.9 OUTLIER -74.25 -31.37 62.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.555 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -73.66 -42.14 61.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.751 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -71.83 -29.8 64.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.792 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -75.3 -31.32 60.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.825 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.7 mm? -74.28 -38.88 63.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.84 -29.72 64.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.789 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.96 -32.31 67.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 11.1 mttt -71.33 -38.04 71.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.18 -34.1 72.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.02 -37.45 69.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -70.83 -32.61 69.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.47 76.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.064 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.431 -1.205 . . . . 0.0 112.503 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HB3' ' D' ' 333' ' ' ARG . 58.1 m-85 -103.3 118.98 38.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -104.19 136.56 43.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -100.34 147.87 25.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.714 HD23 HD11 ' C' ' 332' ' ' ILE . 12.9 tp -148.94 109.34 4.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.41 105.46 17.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.714 HD11 HD23 ' C' ' 330' ' ' LEU . 3.9 mp -111.83 142.89 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.47 36.83 2.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.918 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -128.52 126.99 5.52 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.45 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 25.7 ptt-85 -69.12 -47.33 65.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.777 0.323 . . . . 0.0 110.95 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.36 -41.82 69.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.847 ' HD3' HD13 ' D' ' 348' ' ' LEU . 0.4 OUTLIER -59.39 -52.04 67.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.6 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -61.6 -43.73 98.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.083 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -57.31 -32.39 66.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.357 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.1 -60.75 2.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.211 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 3.8 m-85 -61.67 -28.39 69.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -70.52 -33.6 71.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.973 0.416 . . . . 0.0 110.204 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -81.19 -31.51 33.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.213 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.693 HD21 HD11 ' B' ' 344' ' ' LEU . 1.4 mp -76.78 -32.02 57.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.499 179.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.496 ' OD1' HG23 ' D' ' 332' ' ' ILE . 17.4 t30 -75.28 -39.96 59.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.646 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.658 ' O ' HD12 ' C' ' 350' ' ' LEU . 19.4 tp10 -73.64 -34.08 64.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.476 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -75.75 -33.14 60.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.593 HD13 ' CG ' ' D' ' 337' ' ' ARG . 3.2 mt -73.35 -30.98 63.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -68.59 -30.88 69.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.765 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.658 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.1 -45.89 79.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.26 69.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -64.07 -34.72 78.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.85 -31.23 67.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -70.1 -36.53 74.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.76 32.11 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.471 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.83 0.348 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -87.9 151.65 22.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -147.42 87.92 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -68.74 151.73 46.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.914 HD23 HD11 ' D' ' 332' ' ' ILE . 13.1 tp -152.22 116.0 4.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -106.42 85.97 2.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.914 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mt -81.95 140.29 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.404 ' HB3' ' CE1' ' C' ' 327' ' ' TYR . 8.2 ptm180 -98.3 35.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -130.36 131.62 6.62 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -75.66 -41.44 53.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.847 0.356 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -75.46 -47.38 27.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.593 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.6 OUTLIER -56.99 -45.92 82.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.749 179.908 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -61.0 -46.96 88.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.37 -33.4 63.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.59 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 5.0 mtp -66.85 -58.35 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.307 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.2 m-85 -61.25 -29.76 70.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.752 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -69.04 -36.85 78.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.013 0.435 . . . . 0.0 110.277 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -79.1 -31.36 44.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.335 179.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.853 HD21 HD21 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.62 -29.79 56.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.546 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -75.94 -40.21 54.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.695 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -73.28 -33.26 65.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.766 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.22 -31.68 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.847 HD13 ' HD3' ' C' ' 337' ' ' ARG . 5.5 mt -74.45 -31.93 62.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.716 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.12 -30.2 67.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -66.56 -37.07 84.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.454 ' NZ ' ' HB2' ' A' ' 347' ' ' ALA . 0.6 OUTLIER -60.66 -36.11 77.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -60.84 -35.73 77.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.43 -31.88 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm-40 -71.67 -32.61 68.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.14 -31.02 69.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.498 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.871 0.367 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CE2' ' HB2' ' B' ' 333' ' ' ARG . 30.8 m-85 -95.63 95.32 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.69 102.2 8.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -64.61 152.51 41.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 332' ' ' ILE . 45.3 tp -158.85 120.98 3.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -102.6 112.99 25.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 330' ' ' LEU . 3.7 mp -116.91 140.55 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.132 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -98.51 31.12 2.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.427 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -116.55 113.63 2.84 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.447 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -68.22 -41.58 81.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -74.31 -54.51 7.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.973 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.4 mtm180 -55.92 -39.09 71.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.732 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.92 -47.17 84.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.43 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -34.56 63.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.699 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.5 ttp -66.38 -57.67 6.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.39 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -60.82 -30.14 69.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.723 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.8 ttt-85 -68.1 -39.93 82.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.231 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -76.83 -32.12 57.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.237 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.025 HD11 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.55 -30.11 61.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.557 179.516 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.18 -42.82 62.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.707 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.612 ' O ' HD23 ' A' ' 350' ' ' LEU . 18.7 tt0 -72.18 -31.13 65.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.94 -32.0 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.029 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.443 HD13 ' HE3' ' A' ' 351' ' ' LYS . 2.0 mm? -75.05 -30.95 61.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -77.97 -31.38 50.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.792 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.9 mm? -78.11 -36.12 48.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.77 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.443 ' HE3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -76.77 -29.23 56.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -78.91 -30.82 45.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.27 -31.34 54.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.065 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 5.4 mm100 -76.35 -31.65 58.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.57 -44.72 23.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.041 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.48 -179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.822 0.344 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 60.76 111.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -122.5 110.32 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -82.54 152.93 25.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 8.1 tp -154.67 139.52 17.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -103.97 93.78 5.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.7 mp -75.93 106.65 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HB2' ' CE2' ' A' ' 327' ' ' TYR . 4.4 ttm-85 -91.59 75.97 5.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.29 146.68 4.98 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -75.91 -56.88 4.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -64.08 -38.08 89.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.465 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 1.3 ttp85 -60.24 -53.16 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.651 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.55 ' CA ' HG21 ' B' ' 332' ' ' ILE . 7.6 t80 -61.68 -44.38 97.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.012 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.1 -31.78 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.325 179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.629 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.8 OUTLIER -66.98 -60.98 2.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.158 179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.465 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 5.3 m-85 -59.89 -28.63 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.807 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -68.09 -34.44 76.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.973 0.416 . . . . 0.0 110.216 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -80.45 -32.18 37.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.35 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.817 ' O ' HD23 ' B' ' 348' ' ' LEU . 1.9 mp -76.37 -29.95 57.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.517 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -76.11 -40.78 52.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.712 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.08 -31.48 64.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.821 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -76.05 -31.25 58.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.817 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -74.39 -34.91 63.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.792 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -69.76 -31.13 68.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.8 mt -68.41 -39.38 81.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -61.41 -37.52 83.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -59.52 -32.88 70.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.68 -31.14 70.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -86.21 -47.79 9.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.76 -33.05 73.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.058 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.477 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.818 0.342 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 62.06 150.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -153.35 92.7 1.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.26 136.31 55.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 1.0 HD23 HD11 ' C' ' 332' ' ' ILE . 13.3 tp -137.85 100.42 4.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.438 ' HG2' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -67.57 97.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 1.0 HD11 HD23 ' C' ' 330' ' ' LEU . 25.4 mm -85.16 114.48 25.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.7 ptp180 -92.36 48.86 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -154.27 117.42 0.79 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -59.97 -41.33 91.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.788 0.327 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 -50.99 14.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 5.9 ttm180 -56.53 -41.43 76.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD12 ' D' ' 330' ' ' LEU . 12.1 t80 -62.21 -48.24 80.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.4 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -54.6 -33.48 60.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.703 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.49 ' O ' HD12 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -66.61 -57.87 6.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.334 179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -61.22 -30.53 70.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.723 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.56 -37.86 80.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.239 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -78.57 -32.15 47.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.23 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.818 ' O ' HD23 ' C' ' 348' ' ' LEU . 1.2 mp -75.15 -31.02 60.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.512 179.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -73.17 -42.39 62.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.719 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -71.85 -31.47 66.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.734 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -73.93 -31.62 63.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.995 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.818 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -72.39 -39.37 68.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.796 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -66.43 -31.07 71.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.11 -42.65 79.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -60.17 -31.7 70.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.32 -38.37 86.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.831 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.93 -31.18 69.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -79.5 -44.0 22.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -68.02 -48.06 66.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.57 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.81 0.338 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 60.21 106.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.445 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 5.6 m-85 -122.7 95.63 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.438 ' CE2' ' HG2' ' C' ' 331' ' ' LYS . 95.6 m-85 -59.75 126.6 28.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.922 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.647 HD12 ' CE2' ' C' ' 338' ' ' PHE . 4.2 tt -128.71 104.29 7.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -80.71 124.14 28.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.54 HG22 ' H ' ' D' ' 334' ' ' GLY . 3.8 mp -119.08 130.16 74.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.135 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.63 31.09 3.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.54 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -136.24 115.2 1.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.492 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -32.1 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.794 0.33 . . . . 0.0 110.921 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -76.92 -54.77 6.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -56.97 -37.51 71.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.632 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -64.71 -47.91 76.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.336 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.07 -32.96 62.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.62 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.1 ttm -67.03 -57.8 6.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.386 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -61.86 -30.41 70.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.681 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -69.27 -37.59 77.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.186 179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -79.21 -31.36 43.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.238 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.025 HD21 HD11 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.42 -30.53 57.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.51 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.1 t30 -74.72 -40.77 61.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.693 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -72.36 -31.74 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.711 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.34 -32.68 64.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.806 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.6 mm? -71.77 -39.73 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.821 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -67.56 -30.18 69.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.848 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -73.08 -45.08 59.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.777 ' HD3' HD13 ' D' ' 348' ' ' LEU . 6.4 ptmm? -70.67 -30.29 66.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -76.82 -31.01 56.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.4 -31.01 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -73.35 -31.72 64.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.38 63.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.379 -1.234 . . . . 0.0 112.502 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 3.3 mp0 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.791 0.329 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.413 ' CE2' ' HG2' ' B' ' 333' ' ' ARG . 70.9 m-85 -97.17 150.47 20.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 22.6 m-85 -151.39 89.48 1.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -95.46 135.84 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.578 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.8 pt? -137.28 138.95 40.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.411 ' HB3' ' CZ ' ' B' ' 329' ' ' PHE . 7.6 ptpp? -63.07 115.84 4.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' B' ' 330' ' ' LEU . 2.0 mt -107.47 105.77 19.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -84.56 75.17 10.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.62 114.02 0.45 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.8 ttp85 -60.08 -49.73 76.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -72.25 -42.31 65.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 5.8 ttm180 -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.752 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.2 t80 -59.87 -48.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.325 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -54.28 -33.28 58.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.658 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.3 ttm -66.73 -58.53 4.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.296 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.2 m-85 -59.06 -29.77 67.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.734 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 24.5 ttt-85 -65.47 -40.31 93.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.117 179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.41 -31.8 54.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.11 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 1.003 HD22 HD11 ' D' ' 344' ' ' LEU . 63.8 mt -73.59 -29.81 62.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.396 179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.818 ' OD1' HG23 ' B' ' 332' ' ' ILE . 1.4 t30 -72.97 -46.58 51.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.622 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.11 -32.39 68.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.8 -30.07 61.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.881 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.805 HD13 ' HD2' ' A' ' 351' ' ' LYS . 2.2 mm? -72.53 -37.77 68.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.741 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -69.5 -29.85 67.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.829 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -73.93 -44.61 54.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.805 ' HD2' HD13 ' A' ' 348' ' ' LEU . 17.3 ptpt -69.5 -29.22 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -72.92 -31.08 64.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.5 -31.02 60.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -78.02 -38.72 44.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.31 -59.67 2.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.505 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.404 ' O ' ' CE2' ' B' ' 328' ' ' PHE . 9.5 pt-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.852 0.358 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -90.67 134.12 34.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.422 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.9 m-85 -110.34 93.03 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 331' ' ' LYS . 8.6 m-85 -59.88 142.44 53.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.885 HD23 HD11 ' B' ' 332' ' ' ILE . 6.8 tp -136.81 117.61 14.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -88.5 123.56 33.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.885 HD11 HD23 ' B' ' 330' ' ' LEU . 5.1 mt -127.67 133.29 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.413 ' HG2' ' CE2' ' A' ' 327' ' ' TYR . 3.5 mtt85 -95.99 69.01 2.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.802 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.83 129.53 1.6 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -36.62 67.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -72.38 -46.34 55.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -57.35 -44.4 84.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.732 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.578 ' CE1' HD22 ' A' ' 330' ' ' LEU . 11.9 t80 -60.23 -47.55 85.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.438 179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.58 -34.04 61.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.685 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.8 ttm -66.49 -58.68 4.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.279 179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.648 ' CD1' HD13 ' B' ' 332' ' ' ILE . 4.0 m-85 -59.47 -29.02 67.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.806 179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -67.1 -38.03 84.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.954 0.406 . . . . 0.0 110.17 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -78.76 -31.42 46.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.283 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.813 HD22 HD21 ' C' ' 344' ' ' LEU . 7.0 mt -77.3 -28.65 53.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.628 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -76.92 -39.15 51.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.669 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -73.49 -33.09 64.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.783 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.28 -31.27 60.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.004 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.461 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.0 mm? -74.29 -34.85 63.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.769 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -72.58 -30.85 64.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.51 -34.07 71.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.457 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 ttmt -65.27 -31.56 72.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -74.75 -39.63 61.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.76 -31.47 61.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.87 -31.44 23.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -61.86 -31.15 71.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.405 -1.219 . . . . 0.0 112.526 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.811 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -85.61 119.0 25.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -106.32 96.16 6.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -67.27 112.67 4.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.474 HD23 HD11 ' C' ' 332' ' ' ILE . 18.1 tp -123.35 131.13 53.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HB3' ' CE1' ' D' ' 329' ' ' PHE . 2.9 ptmm? -98.39 112.0 24.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.474 HD11 HD23 ' C' ' 330' ' ' LEU . 26.7 mm -97.69 133.7 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.36 33.86 2.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.431 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -136.86 116.61 1.43 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -59.93 -46.14 90.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.792 0.33 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.74 -45.16 53.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.752 ' CG ' HD13 ' D' ' 348' ' ' LEU . 18.3 mtm-85 -57.52 -45.13 85.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.771 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.642 ' CZ ' HD13 ' D' ' 330' ' ' LEU . 11.3 t80 -60.64 -48.26 82.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.392 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -54.58 -33.46 60.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.673 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 6.9 mtp -66.76 -57.93 6.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.343 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.408 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.6 m-85 -61.05 -31.09 70.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.71 179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.8 ttt180 -69.36 -41.96 75.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.105 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -74.65 -30.6 61.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.023 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.813 HD21 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -74.04 -42.3 60.48 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.302 179.429 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -68.44 -38.54 81.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.668 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -71.87 -36.37 70.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.839 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.725 ' HA ' HD23 ' C' ' 350' ' ' LEU . . . -73.28 -28.18 61.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.077 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.515 ' CD1' HD12 ' C' ' 344' ' ' LEU . 4.1 mt -81.4 -25.74 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.722 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.83 -27.65 50.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.125 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.725 HD23 ' HA ' ' C' ' 347' ' ' ALA . 1.5 pp -76.75 -37.12 56.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.026 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.475 ' HD2' HD23 ' C' ' 348' ' ' LEU . 2.5 ptpt -75.74 -30.65 59.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.782 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -75.68 -30.51 59.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.768 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.03 -30.9 65.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.067 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -87.71 -44.36 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.53 -42.25 29.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.499 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.843 0.354 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 60.72 111.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.407 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 23.2 m-85 -129.63 128.72 43.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' C' ' 331' ' ' LYS . 45.2 m-85 -85.72 121.89 29.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.642 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 11.7 tp -124.7 129.89 51.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.61 84.17 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.608 HD12 ' CE2' ' D' ' 341' ' ' PHE . 29.6 mm -70.58 92.52 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttm180 -73.01 78.15 1.19 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 165.34 122.42 0.6 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.43 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 26.0 ttt85 -61.83 -38.71 89.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -49.64 23.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.67 -43.42 80.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.74 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.402 ' HA ' HG21 ' D' ' 332' ' ' ILE . 11.2 t80 -61.05 -46.92 88.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.438 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -54.6 -34.51 62.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.602 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -66.24 -59.2 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.206 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.608 ' CE2' HD12 ' D' ' 332' ' ' ILE . 3.2 m-85 -61.88 -29.86 70.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.769 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -70.9 -37.47 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.982 0.42 . . . . 0.0 110.134 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -79.81 -29.65 40.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.192 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 344' ' ' LEU . 1.0 OUTLIER -76.96 -30.97 56.25 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.529 179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -75.84 -40.76 54.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.81 -31.52 63.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.688 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.435 ' HB2' ' HE2' ' A' ' 351' ' ' LYS . . . -77.23 -32.59 55.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.752 HD13 ' CG ' ' C' ' 337' ' ' ARG . 3.0 mt -74.64 -31.15 61.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.74 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -70.84 -30.56 67.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.768 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -66.6 -38.51 87.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.14 -31.86 70.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.66 -31.74 70.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.97 -31.72 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.098 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -80.13 -39.09 30.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -108.84 31.06 5.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.534 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 . . . . . 0 N--CA 1.487 1.375 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 61.13 112.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -125.77 117.36 23.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -68.02 122.19 17.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.844 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.726 HD23 HD11 ' A' ' 332' ' ' ILE . 11.5 tp -117.89 152.12 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.945 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.443 ' HG2' ' CE2' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -136.1 125.65 25.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.726 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -122.26 126.34 74.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.156 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.433 ' HB3' ' CE2' ' B' ' 327' ' ' TYR . 6.6 ptm180 -98.59 33.36 2.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.948 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.505 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.71 139.68 9.87 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.505 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -73.7 -49.54 25.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.826 0.346 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.0 -38.25 79.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.622 ' HD2' HG23 ' A' ' 332' ' ' ILE . 0.0 OUTLIER -58.82 -50.57 73.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.803 179.866 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.03 -46.84 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.405 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -55.57 -32.7 63.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.97 -58.89 4.08 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.328 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.406 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 4.1 m-85 -60.61 -29.47 69.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.721 179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -34.79 77.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.223 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -80.51 -31.96 37.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.32 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 348' ' ' LEU . 76.6 mt -77.3 -29.1 53.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.594 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 66.9 t30 -77.36 -39.51 47.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.688 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -74.72 -31.9 61.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.74 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.77 -31.32 51.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.963 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.739 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.29 -30.95 57.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.764 179.827 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -72.77 -30.81 64.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -68.44 -34.6 76.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -39.07 93.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -33.25 71.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.6 -31.22 65.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.069 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -70.91 -32.62 69.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.95 -31.97 64.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.816 0.341 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.433 ' CE2' ' HB3' ' A' ' 333' ' ' ARG . 0.2 OUTLIER -106.1 150.68 25.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -137.87 152.85 49.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.443 ' CE2' ' HG2' ' A' ' 331' ' ' LYS . 5.4 m-85 -120.37 152.95 37.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 46.4 tp -164.41 104.85 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 30.1 mtpt -87.35 97.73 10.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.457 ' H ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -84.88 141.68 14.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.123 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.53 32.65 2.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -129.15 117.08 2.34 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -62.55 -47.18 84.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.932 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -44.74 49.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.621 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.1 ttm180 -57.67 -48.27 79.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.665 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.571 ' CE2' HD13 ' A' ' 330' ' ' LEU . 10.0 t80 -59.92 -46.14 90.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.38 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.55 -33.43 63.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.7 ttm -66.76 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.239 179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' HA ' HD12 ' B' ' 344' ' ' LEU . 4.5 m-85 -59.83 -29.02 67.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.79 179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -67.28 -35.22 79.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.933 0.397 . . . . 0.0 110.198 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.24 -31.49 38.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.304 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.023 HD22 HD11 ' C' ' 344' ' ' LEU . 11.4 mt -77.17 -29.49 54.49 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.579 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -77.22 -39.48 48.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.709 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.419 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.0 OUTLIER -74.85 -31.21 61.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.756 179.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.69 -30.51 51.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.997 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -77.03 -32.39 56.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.419 HD12 ' O ' ' B' ' 346' ' ' GLU . 3.4 mt -71.36 -31.62 67.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.547 ' NZ ' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -67.32 -32.2 73.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.826 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -66.4 -33.69 76.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.28 -32.06 60.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . 0.676 ' OE1' HD21 ' C' ' 350' ' ' LEU . 5.0 mt-30 -77.4 -33.97 54.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -94.52 -58.17 2.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.33 -1.261 . . . . 0.0 112.543 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.83 0.348 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.426 ' CE2' ' HB3' ' D' ' 333' ' ' ARG . 8.2 m-85 60.62 84.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.494 ' CE2' ' CD2' ' D' ' 338' ' ' PHE . 1.5 p90 -150.5 131.33 14.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -93.88 154.57 17.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.963 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' D' ' 338' ' ' PHE . 0.8 OUTLIER -128.72 125.85 38.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.887 179.881 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -60.61 108.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 1.9 mp -105.64 98.14 6.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.7 ptt180 -73.86 93.12 2.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.1 127.15 0.93 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -60.84 -62.58 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.8 mp0 -59.1 -34.69 72.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -61.55 -54.5 42.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.588 179.839 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.0 t80 -61.57 -43.32 99.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.046 179.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -57.98 -32.08 67.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.271 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.1 mtp -67.51 -61.01 2.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.208 179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.47 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 2.1 m-85 -63.58 -26.29 68.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.636 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -75.12 -39.08 60.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.277 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -77.66 -32.56 53.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.252 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.023 HD11 HD22 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -75.26 -30.39 60.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.461 179.512 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -72.71 -42.23 64.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.558 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.75 -38.64 80.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.671 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.547 ' HB2' ' NZ ' ' B' ' 351' ' ' LYS . . . -70.47 -36.01 73.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.858 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.794 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.2 mm? -67.62 -31.84 72.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.567 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.38 -34.35 77.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.796 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.676 HD21 ' OE1' ' B' ' 354' ' ' GLN . 0.6 OUTLIER -61.95 -44.79 96.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -59.52 -31.54 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.27 -38.38 71.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.51 -31.19 65.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -74.92 -32.1 61.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.22 31.97 5.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.078 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.407 -1.219 . . . . 0.0 112.495 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HG2' ' CZ ' ' D' ' 328' ' ' PHE . 5.7 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.833 0.349 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 32.0 m-85 -107.41 152.91 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HG2' ' D' ' 326' ' ' GLU . 10.6 m-85 -132.11 93.01 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.5 p90 -85.67 139.46 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 67.9 tp -127.6 132.78 49.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 6.9 ttmt -69.12 113.48 6.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mm -109.44 87.26 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.128 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.426 ' HB3' ' CE2' ' C' ' 327' ' ' TYR . 0.5 OUTLIER -73.47 64.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.812 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.69 113.86 0.4 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -57.21 -29.72 63.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.761 0.315 . . . . 0.0 111.058 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -74.41 -59.59 2.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.94 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -42.94 69.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.657 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.642 ' CD2' HD22 ' C' ' 330' ' ' LEU . 7.8 t80 -62.02 -45.3 94.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.241 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -54.3 -35.59 62.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.662 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -65.43 -59.64 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.245 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.73 ' HA ' HD12 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.71 -28.92 66.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.883 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.29 -37.13 84.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.944 0.402 . . . . 0.0 110.032 179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -77.18 -35.45 55.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.19 179.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.803 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.1 mt -71.43 -27.95 63.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.375 179.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -73.23 -47.85 39.83 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.739 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.47 -30.77 69.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.16 -31.09 60.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.803 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.5 mm? -76.2 -34.87 59.29 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -73.88 -31.2 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 9.8 mt -72.79 -31.53 64.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.561 ' NZ ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -68.87 -32.08 71.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -69.33 -33.28 72.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.842 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.19 -31.19 55.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.095 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -80.14 -31.74 38.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.83 -30.93 45.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.51 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.807 0.337 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.438 ' CE2' ' HG3' ' B' ' 333' ' ' ARG . 14.0 m-85 -92.59 105.71 17.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -87.16 152.34 22.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -105.59 145.91 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.702 HD13 ' CE2' ' B' ' 338' ' ' PHE . 13.8 tp -161.6 126.52 3.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.64 92.76 4.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.582 HD11 HD23 ' A' ' 330' ' ' LEU . 28.1 mm -74.46 132.3 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.71 31.12 3.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.543 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -130.67 131.51 6.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 7.4 ttt-85 -69.12 -53.52 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.901 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -71.63 -42.75 67.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -47.13 84.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.719 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.42 ' CE1' HD22 ' B' ' 330' ' ' LEU . 11.7 t80 -59.34 -46.98 87.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.495 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -54.96 -34.89 63.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.658 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.96 -58.38 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.261 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.43 ' HA ' HD12 ' A' ' 344' ' ' LEU . 2.3 m-85 -62.7 -28.85 70.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.725 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -36.76 74.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.139 179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.43 -34.27 60.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.375 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.987 HD22 HD11 ' D' ' 344' ' ' LEU . 16.1 mt -71.84 -34.98 69.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -67.54 -42.66 82.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.43 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.8 -45.46 78.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.57 -28.54 68.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.627 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.766 HD22 ' HG2' ' B' ' 337' ' ' ARG . 8.9 tp -67.71 -39.51 84.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.72 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.44 -36.54 78.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.94 -35.1 79.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.838 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' D' ' 347' ' ' ALA . 4.3 ttmt -60.2 -34.94 74.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.804 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.85 -39.76 90.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.83 -31.06 69.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.056 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -112.32 28.66 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.95 -37.29 10.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.107 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.52 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.4 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 2.9 mp0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.827 0.346 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -86.96 89.93 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.4 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 21.5 m-85 -72.51 116.89 13.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.05 130.09 35.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' B' ' 330' ' ' LEU . 8.9 tp -143.19 142.17 31.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -106.76 88.66 2.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.945 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 29.7 mm -73.24 119.5 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.438 ' HG3' ' CE2' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -93.93 106.98 18.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.873 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 139.33 145.48 4.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.519 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttm180 -74.93 -64.89 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.18 -36.28 75.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.766 ' HG2' HD22 ' A' ' 348' ' ' LEU . 7.8 tpt180 -60.11 -52.65 64.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.665 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.702 ' CE2' HD13 ' A' ' 330' ' ' LEU . 9.1 t80 -61.37 -46.27 90.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.035 179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -56.37 -31.85 64.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.375 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.414 ' HG2' HD12 ' B' ' 344' ' ' LEU . 35.3 ttm -66.67 -60.01 3.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.218 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.473 ' CZ ' ' HG3' ' B' ' 337' ' ' ARG . 2.7 m-85 -62.47 -30.13 71.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.836 179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -73.39 -37.72 65.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.209 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -79.15 -30.08 43.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.189 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.803 HD21 ' HG ' ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.32 -30.79 60.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.527 179.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -75.2 -43.48 51.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.693 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.2 -31.15 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.619 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.481 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -79.0 -30.72 44.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.789 HD21 ' OE1' ' C' ' 343' ' ' GLU . 16.7 mt -76.47 -29.76 57.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.711 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -71.84 -33.3 68.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.756 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 9.1 mt -66.42 -34.99 79.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.803 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -64.42 -35.13 79.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -60.35 -34.39 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.22 -31.01 68.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -85.76 -53.66 5.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.5 98.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.5 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.804 0.335 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 63.29 123.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -137.16 153.53 50.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.824 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE1' ' HD3' ' D' ' 331' ' ' LYS . 3.5 m-85 -110.13 152.98 25.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.8 tp -160.0 134.8 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.431 ' HB3' ' CZ ' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -95.29 86.89 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.551 HG23 HD21 ' D' ' 345' ' ' ASN . 3.7 mp -76.34 151.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.106 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.7 ptt85 -115.27 148.9 38.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 87.28 144.15 8.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -74.04 -44.92 52.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -68.37 -36.36 79.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.655 ' CD ' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -61.59 -55.44 30.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.577 179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.87 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.1 t80 -60.88 -41.66 96.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.077 179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -58.22 -32.75 68.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.508 ' HE3' HD21 ' D' ' 344' ' ' LEU . 0.0 OUTLIER -67.8 -61.2 1.99 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.156 179.336 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.465 ' CE2' ' HG3' ' C' ' 337' ' ' ARG . 3.1 m-85 -62.72 -25.6 68.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.726 179.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -33.5 67.15 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.268 179.313 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . 0.789 ' OE1' HD21 ' B' ' 348' ' ' LEU . 3.9 tm-20 -80.15 -33.5 38.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.329 179.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.803 ' HG ' HD21 ' B' ' 344' ' ' LEU . 0.2 OUTLIER -76.25 -30.52 57.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.465 179.576 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -75.12 -39.71 60.37 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.696 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.411 ' O ' HD23 ' C' ' 350' ' ' LEU . 17.0 pt-20 -72.24 -34.35 68.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.655 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.99 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.93 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.665 HD13 ' HB3' ' D' ' 337' ' ' ARG . 20.9 mt -71.35 -39.4 71.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.91 -33.79 76.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.411 HD23 ' O ' ' C' ' 346' ' ' GLU . 2.5 mm? -65.85 -38.79 89.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.481 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 9.8 mttp -59.98 -36.38 77.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -65.61 -31.05 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.48 -43.99 58.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -29.38 37.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.963 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.17 -55.4 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.081 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.529 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 59.98 106.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -120.94 113.16 19.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.431 ' CZ ' ' HB3' ' C' ' 331' ' ' LYS . 13.3 m-85 -70.73 135.52 48.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 1.04 HD23 HD11 ' D' ' 332' ' ' ILE . 17.8 tp -134.68 126.04 28.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.961 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HD3' ' CE1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -87.29 83.8 7.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 1.04 HD11 HD23 ' D' ' 330' ' ' LEU . 32.2 mm -70.16 128.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.177 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.78 74.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 164.23 134.44 1.65 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.532 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.65 -36.44 60.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.94 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.58 -53.04 17.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.665 ' HB3' HD13 ' C' ' 348' ' ' LEU . 15.1 ptp180 -56.14 -47.32 78.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.81 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.401 ' CZ ' ' HD3' ' D' ' 342' ' ' ARG . 4.9 t80 -59.01 -40.85 86.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.313 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -42.07 77.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.741 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mpp? -61.69 -53.81 51.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.473 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.431 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.9 m-85 -59.43 -36.01 75.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.704 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HD3' ' CZ ' ' D' ' 338' ' ' PHE . 1.1 tpt180 -62.78 -40.41 97.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.246 179.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -77.09 -30.36 55.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.31 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.987 HD11 HD22 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.01 -30.56 58.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.541 179.665 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.551 HD21 HG23 ' C' ' 332' ' ' ILE . 3.8 m-20 -74.45 -40.89 61.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.781 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.455 ' O ' HD12 ' D' ' 350' ' ' LEU . 18.1 mt-10 -75.76 -26.84 57.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.444 ' HB2' ' HE3' ' A' ' 351' ' ' LYS . . . -83.02 -30.98 27.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.749 HD23 ' HD3' ' D' ' 351' ' ' LYS . 5.5 mt -81.57 -28.12 33.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.796 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.19 -27.46 35.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.818 179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.455 HD12 ' O ' ' D' ' 346' ' ' GLU . 3.0 mt -79.11 -32.16 44.48 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.749 ' HD3' HD23 ' D' ' 348' ' ' LEU . 17.6 ptmt -75.65 -31.48 59.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -73.76 -32.06 63.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.72 -32.65 63.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.99 -36.74 30.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.2 -34.34 74.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.506 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.857 0.361 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 60.42 97.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -103.41 88.33 3.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.4 p90 -93.95 147.6 22.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.576 ' N ' HD23 ' A' ' 330' ' ' LEU . 1.9 pt? -153.11 145.34 23.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 35.5 mtmt -77.5 121.46 23.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.455 HD12 HD21 ' B' ' 345' ' ' ASN . 25.4 mm -103.96 90.31 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.9 79.68 0.89 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 171.36 142.83 3.8 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.468 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 18.2 ttt-85 -76.11 -66.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.756 0.312 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.87 -38.63 82.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.458 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 33.6 ttp180 -59.96 -52.84 63.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.564 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 8.2 t80 -62.15 -45.09 94.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.976 179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -57.08 -31.45 65.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.364 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.457 ' CE ' HD22 ' B' ' 344' ' ' LEU . 11.2 ttp -67.54 -59.9 2.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.285 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.458 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 2.2 m-85 -61.75 -28.05 69.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.71 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -71.6 -40.53 69.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.258 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -76.26 -33.01 59.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.291 179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.573 ' HG ' HD11 ' D' ' 344' ' ' LEU . 1.0 OUTLIER -74.41 -30.76 62.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.44 179.51 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 60.4 t-20 -71.88 -41.96 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.714 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.67 -32.47 67.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.734 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.642 ' HB2' ' HE3' ' D' ' 351' ' ' LYS . . . -73.95 -31.0 62.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.999 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -38.59 67.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -69.32 -31.59 70.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.802 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 2.3 mt -68.87 -36.76 78.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -33.77 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.46 -31.23 62.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -80.22 -30.74 38.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.714 ' OE1' ' HB2' ' A' ' 355' ' ' ALA . 0.0 OUTLIER -88.83 -30.25 19.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.956 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.714 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . . . -123.17 -57.49 1.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.084 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.377 -1.235 . . . . 0.0 112.487 -179.973 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.839 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 60.37 103.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 4.7 m-85 -110.08 100.75 9.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -64.35 147.32 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.667 HD23 HD11 ' B' ' 332' ' ' ILE . 13.7 tp -148.34 127.56 12.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -102.96 84.79 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.667 HD11 HD23 ' B' ' 330' ' ' LEU . 4.8 mt -91.74 118.02 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.058 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -93.53 47.52 1.24 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.33 117.98 1.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 8.4 ttt180 -59.96 -57.16 14.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -66.81 -41.73 87.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.41 ' HG2' ' CZ ' ' B' ' 341' ' ' PHE . 0.0 OUTLIER -57.97 -49.42 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.797 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.45 ' CE1' HD22 ' A' ' 330' ' ' LEU . 10.1 t80 -58.69 -46.02 88.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.435 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -54.63 -34.73 62.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.583 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.94 -59.47 3.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.257 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.41 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 5.5 m-85 -59.21 -28.89 67.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.744 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.97 -36.24 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.958 0.408 . . . . 0.0 110.095 179.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.38 -32.42 48.89 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.267 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -73.52 -30.48 63.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.467 179.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.455 HD21 HD12 ' A' ' 332' ' ' ILE . 25.4 m-80 -73.66 -44.97 55.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.675 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.733 ' O ' HD23 ' B' ' 350' ' ' LEU . 7.1 mt-10 -71.84 -30.7 65.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.762 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.437 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -77.24 -31.86 55.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.015 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.448 HD12 ' O ' ' B' ' 344' ' ' LEU . 3.5 mt -75.29 -30.67 60.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -72.06 -31.0 65.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.822 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.733 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.6 mm? -66.99 -37.73 84.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 355' ' ' ALA . 5.1 mtpt -60.44 -31.24 70.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -72.1 -36.27 69.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.75 -31.12 56.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -87.36 -31.59 20.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' B' ' 351' ' ' LYS . . . -59.97 -33.21 71.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.435 -1.203 . . . . 0.0 112.486 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 61.16 112.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.69 109.79 9.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -60.18 111.24 1.45 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 44.6 tp -108.5 91.21 3.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.405 ' HD3' ' CE2' ' D' ' 329' ' ' PHE . 0.0 OUTLIER -77.81 120.68 23.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 22.8 mt -126.44 142.17 43.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.29 33.6 2.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -134.99 117.69 1.79 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -64.7 -40.26 95.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.878 0.37 . . . . 0.0 110.938 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.0 -38.32 66.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.0 OUTLIER -60.58 -53.42 57.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.707 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.563 ' CE1' HD13 ' D' ' 330' ' ' LEU . 5.4 t80 -58.15 -41.36 83.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.305 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -55.93 -35.9 67.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.598 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 4.9 mtm -66.31 -60.98 2.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.059 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.454 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -60.27 -26.82 66.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.726 179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -68.13 -33.31 74.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.115 179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -79.44 -32.55 42.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.341 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.792 HD21 HD21 ' B' ' 344' ' ' LEU . 1.1 mt -75.96 -32.29 59.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.474 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -73.05 -40.28 65.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.507 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.94 -40.21 65.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.489 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.35 -27.99 62.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.659 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.6 HD22 ' HD2' ' D' ' 337' ' ' ARG . 8.5 tp -72.42 -36.8 68.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.678 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -64.82 -37.13 86.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.8 mt -63.61 -34.95 78.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 5.8 mmtp -61.14 -31.62 71.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -64.93 -37.24 87.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.89 -31.13 69.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -115.63 31.64 6.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -99.4 -33.72 10.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.486 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.838 0.352 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 60.51 110.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -122.6 152.88 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.837 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.405 ' CE2' ' HD3' ' C' ' 331' ' ' LYS . 7.6 m-85 -106.59 146.49 30.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.834 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.563 HD13 ' CE1' ' C' ' 338' ' ' PHE . 65.0 tp -148.46 100.73 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.945 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -77.64 110.23 12.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' D' ' 330' ' ' LEU . 25.0 mm -95.1 117.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.161 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 14.3 ttt85 -81.92 79.41 8.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 155.93 138.98 2.66 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -34.34 60.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.784 0.326 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -77.29 -46.12 24.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.6 ' HD2' HD22 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -57.71 -48.66 78.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.681 179.821 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -61.16 -45.36 94.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.193 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.83 -33.23 64.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.361 179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttp -66.45 -60.9 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.048 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.2 m-85 -61.08 -29.61 69.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.888 179.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 6.2 tpm_? -71.24 -34.98 71.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.976 0.417 . . . . 0.0 110.189 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -80.54 -29.85 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.25 179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.573 HD11 ' HG ' ' A' ' 344' ' ' LEU . 3.8 tp -76.39 -29.82 57.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.644 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -77.52 -42.22 36.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.662 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -76.15 -28.71 57.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.763 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.93 -28.0 35.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.53 HD12 ' O ' ' D' ' 344' ' ' LEU . 10.0 mt -78.49 -33.56 48.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.774 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -72.2 -29.18 63.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.706 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 11.8 mt -68.18 -35.36 77.9 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.761 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.642 ' HE3' ' HB2' ' A' ' 347' ' ' ALA . 13.0 mttm -60.51 -37.01 79.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.14 -39.11 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.23 -34.18 75.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -69.39 -36.66 76.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.18 -48.8 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.378 -1.235 . . . . 0.0 112.489 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.788 0.327 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -131.91 114.76 15.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 328' ' ' PHE . 5.4 m-85 -109.04 152.97 24.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -130.69 124.58 31.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 15.3 tp -134.74 131.74 37.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HG3' ' CE1' ' B' ' 329' ' ' PHE . 0.0 OUTLIER -81.97 99.12 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.901 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.666 HD12 HD21 ' B' ' 345' ' ' ASN . 28.3 mm -79.0 99.81 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.1 78.5 6.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 160.91 132.95 1.4 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -33.94 60.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.61 -57.1 4.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.448 ' HB3' HD13 ' B' ' 348' ' ' LEU . 5.6 ptp85 -56.4 -41.5 76.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' B' ' 330' ' ' LEU . 3.8 t80 -63.28 -39.55 94.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.343 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.85 -39.83 78.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.643 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.745 ' O ' HD12 ' A' ' 344' ' ' LEU . 3.3 mtp -63.69 -55.39 23.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.458 179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.413 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 2.5 m-85 -61.09 -31.35 71.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.723 179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.48 -40.24 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.965 0.412 . . . . 0.0 110.278 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -78.51 -30.53 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.235 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.903 HD21 HD11 ' D' ' 344' ' ' LEU . 0.3 OUTLIER -77.38 -28.77 52.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.6 179.565 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -76.62 -39.87 51.11 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.806 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.16 -31.87 58.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.69 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.66 -30.56 41.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.889 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.73 HD13 ' HG2' ' B' ' 337' ' ' ARG . 19.1 mt -78.37 -28.44 47.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.792 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -75.77 -31.74 59.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.809 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 4.7 mt -74.46 -31.74 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.604 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -70.37 -31.72 69.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -65.71 -33.83 76.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.45 -31.02 71.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.094 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.76 -51.39 7.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.22 -47.99 83.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.405 -1.22 . . . . 0.0 112.518 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.836 0.351 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 60.88 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -123.64 101.24 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.432 ' CE1' ' HG3' ' A' ' 331' ' ' LYS . 6.1 m-85 -60.26 125.49 23.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 338' ' ' PHE . 7.7 tt -129.91 107.51 9.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 139.38 33.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.34 119.93 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.096 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.6 ptt180 -92.94 48.04 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.1 130.54 2.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -68.07 -41.53 81.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.788 0.328 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -72.6 -42.94 63.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.73 ' HG2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -48.13 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.731 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -59.28 -46.93 87.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.417 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -55.06 -33.31 62.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.579 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 5.0 ttm -67.14 -59.18 3.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.299 179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 3.9 m-85 -60.33 -28.35 68.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.728 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 8.0 ttt-85 -67.72 -36.13 80.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.208 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -79.51 -32.49 42.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.281 179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' C' ' 344' ' ' LEU . 74.1 mt -76.54 -28.97 56.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.54 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.666 HD21 HD12 ' A' ' 332' ' ' ILE . 12.8 m-20 -76.04 -40.52 53.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.723 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -73.01 -32.94 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.719 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.41 -30.99 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.992 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.448 HD13 ' HB3' ' A' ' 337' ' ' ARG . 10.8 mt -74.65 -34.13 62.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -70.54 -31.49 68.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -67.8 -35.57 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -61.82 -33.62 74.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.71 -36.81 85.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -31.11 64.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -75.0 -32.57 61.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -103.69 -69.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.502 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.782 0.325 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 62.84 120.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 3.1 m-85 -129.1 147.3 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.415 ' CE2' ' HG2' ' D' ' 331' ' ' LYS . 6.6 m-85 -105.43 136.58 44.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.634 HD13 ' CE2' ' D' ' 338' ' ' PHE . 13.8 tp -135.93 105.83 6.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 25.1 mtmm -81.66 86.14 6.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.633 HD13 ' HD1' ' C' ' 341' ' ' PHE . 4.7 mt -85.39 141.7 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.086 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.3 135.3 48.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 109.87 135.9 7.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.1 tpt85 -73.61 -32.84 64.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.331 . . . . 0.0 110.924 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -76.07 -42.93 45.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.723 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.99 -51.26 70.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.669 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 7.1 t80 -60.27 -43.33 96.28 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.169 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.26 -34.39 66.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.431 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.4 tpp -66.76 -61.03 2.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.088 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.633 ' HD1' HD13 ' C' ' 332' ' ' ILE . 4.4 m-85 -60.45 -27.02 67.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.772 179.478 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 7.5 ttt180 -69.74 -36.04 75.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.927 0.394 . . . . 0.0 110.253 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -78.83 -31.81 45.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.342 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.975 HD22 HD22 ' B' ' 344' ' ' LEU . 77.8 mt -75.34 -29.89 60.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.574 179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -74.99 -42.42 57.58 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.66 179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -71.93 -32.84 67.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.711 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.82 -30.76 61.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.033 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.65 -35.77 65.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.791 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -68.45 -31.48 70.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.28 -38.83 85.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.813 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 9.6 mtpt -60.31 -33.54 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -67.79 -31.78 71.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.54 -32.69 62.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -72.41 -31.39 65.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -105.22 -68.81 0.84 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.487 179.982 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.1 mm-40 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.836 0.351 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -81.64 143.78 31.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.412 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 66.6 m-85 -136.46 118.92 15.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -78.07 112.26 14.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 30.3 tp -107.42 107.14 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.415 ' HG2' ' CE2' ' C' ' 329' ' ' PHE . 4.4 mtmt -91.17 104.64 17.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.485 HG23 ' HE ' ' D' ' 337' ' ' ARG . 3.7 mp -98.12 139.14 20.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.123 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 18.7 ttt-85 -99.69 34.35 2.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -143.53 142.53 11.37 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.479 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.57 -33.69 58.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.808 0.337 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -81.03 -48.09 12.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.827 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.485 ' HE ' HG23 ' D' ' 332' ' ' ILE . 14.6 ttp-105 -57.16 -48.28 79.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.707 179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.634 ' CE2' HD13 ' C' ' 330' ' ' LEU . 8.1 t80 -64.59 -45.54 86.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.984 179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -57.15 -30.72 64.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.356 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.521 ' HG2' HD12 ' D' ' 344' ' ' LEU . 5.3 ttm -67.71 -60.93 2.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.218 179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.467 ' CE1' ' HG2' ' D' ' 337' ' ' ARG . 2.6 m-85 -61.29 -27.58 68.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.689 179.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -71.34 -40.61 70.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.298 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.231 179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.903 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -77.2 -31.64 55.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.589 179.596 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -75.76 -39.77 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.815 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.46 -31.08 60.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.737 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.81 -31.11 45.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.94 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.787 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -77.4 -30.09 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -73.52 -30.91 63.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.807 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.5 mt -68.34 -34.56 76.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.811 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -62.55 -35.38 79.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.15 -41.03 91.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.27 -35.76 76.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -78.97 -41.48 29.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.53 -41.9 75.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.46 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.777 0.322 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.407 ' CD1' ' HG3' ' B' ' 333' ' ' ARG . 8.1 m-85 61.4 113.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.09 104.7 9.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -60.27 141.01 56.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.91 HD23 HD11 ' A' ' 332' ' ' ILE . 3.3 tp -151.94 104.55 3.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.427 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 1.2 ttmp? -87.29 106.82 18.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.926 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.91 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -115.45 116.05 51.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.419 ' HB3' ' CD2' ' B' ' 327' ' ' TYR . 19.0 ptt85 -78.03 -30.77 50.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -59.29 114.24 5.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.484 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -60.11 -37.35 79.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -74.62 -52.95 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -56.28 -42.57 77.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.705 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -61.29 -45.53 94.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.421 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -55.01 -35.4 64.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.588 ' O ' HD12 ' A' ' 344' ' ' LEU . 32.5 mtm -67.05 -56.25 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.544 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 341' ' ' PHE . 1.5 m-85 -65.3 -24.97 67.43 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -42.24 23.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.337 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 340' ' ' MET . 1.7 pp20? -78.4 -27.1 46.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.232 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.822 ' O ' HD23 ' A' ' 348' ' ' LEU . 4.0 mt -77.82 -30.68 51.27 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.443 179.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.665 ' ND2' HG23 ' B' ' 332' ' ' ILE . 64.1 t-20 -74.44 -43.69 55.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.581 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.0 OUTLIER -68.98 -32.0 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.673 179.807 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.47 69.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.028 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.822 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -67.97 -35.31 78.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.679 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -64.42 -30.99 72.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 346' ' ' GLU . 1.1 mp -65.39 -47.85 74.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 11.4 mttt -59.17 -31.18 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.38 -37.99 65.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.29 -31.55 60.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.072 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -81.9 -31.34 31.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.26 -46.41 9.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.504 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.783 0.325 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 333' ' ' ARG . 34.4 m-85 61.45 116.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.953 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -123.4 112.69 17.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.427 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 76.1 m-85 -60.23 129.03 39.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.0 tp -141.04 102.37 4.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.67 104.24 15.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.665 HG23 ' ND2' ' A' ' 345' ' ' ASN . 3.6 mp -93.15 139.62 17.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.082 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.407 ' HG3' ' CD1' ' A' ' 327' ' ' TYR . 6.7 ttt-85 -96.74 66.62 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -165.61 133.04 2.82 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.44 -44.7 50.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -70.9 -46.8 61.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -57.18 -42.78 81.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.748 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.58 -48.11 83.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.47 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -54.33 -34.2 60.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttp -66.48 -58.13 5.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.353 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.413 ' HB3' ' CG ' ' A' ' 341' ' ' PHE . 3.4 m-85 -59.95 -29.47 68.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.759 179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -35.94 81.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.137 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -76.74 -33.26 58.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.328 179.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.714 ' O ' HD23 ' B' ' 348' ' ' LEU . 0.3 OUTLIER -71.03 -32.24 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.424 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -70.87 -47.45 59.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.84 -30.71 71.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.66 -39.0 77.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.714 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -71.33 -32.1 68.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -71.59 -31.17 66.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.6 mt -67.38 -36.63 81.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.84 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.666 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 16.8 mttt -60.77 -31.75 71.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.853 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -75.85 -31.64 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.8 -36.29 57.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.73 -31.21 28.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.54 -56.13 3.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.327 -1.263 . . . . 0.0 112.515 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.769 0.319 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 63.16 123.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -142.09 104.24 4.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.414 ' CE2' ' HB3' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -70.14 130.29 41.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.836 HD13 ' CE1' ' D' ' 338' ' ' PHE . 11.9 tp -130.88 145.03 51.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -122.95 112.31 17.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.556 HG21 ' HB3' ' C' ' 337' ' ' ARG . 27.2 mm -101.03 139.02 23.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -98.78 30.95 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.438 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -147.56 132.35 4.25 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -67.83 -39.64 83.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.822 0.344 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -73.7 -45.32 53.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.595 ' CD ' HD13 ' D' ' 348' ' ' LEU . 3.0 mtm180 -57.56 -44.88 85.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.74 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.647 ' CE2' HD22 ' D' ' 330' ' ' LEU . 12.1 t80 -60.88 -48.22 82.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.393 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.44 -33.61 59.85 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.574 179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 5.2 mtp -66.51 -58.86 4.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.277 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.417 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.4 m-85 -60.8 -30.36 70.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.82 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -41.17 73.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 109.952 179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -75.87 -24.18 55.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.26 179.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.597 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -78.21 -38.72 42.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' C' ' 346' ' ' GLU . 30.2 p30 -77.84 -25.35 48.69 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 0.0 110.801 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' C' ' 345' ' ' ASN . 2.7 mt-10 -82.5 -33.85 28.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.632 179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.666 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -78.49 -34.25 47.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.681 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 4.9 mt -77.57 -31.83 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.524 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -73.94 -26.92 60.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.724 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.92 -40.97 65.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -30.15 71.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.9 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -65.74 -33.19 75.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -61.94 -30.9 71.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.2 mm100 -68.5 -54.31 17.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.57 -68.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.078 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.399 -1.223 . . . . 0.0 112.497 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.836 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 63.71 137.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -152.79 138.21 17.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.921 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.414 ' HB3' ' CE2' ' C' ' 329' ' ' PHE . 50.7 m-85 -106.95 144.1 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.934 HD12 HD11 ' D' ' 332' ' ' ILE . 0.5 OUTLIER -145.98 130.26 17.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 2.4 pttm -98.33 84.61 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.934 HD11 HD12 ' D' ' 330' ' ' LEU . 3.7 mp -78.99 138.69 19.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 17.9 ttm105 -95.83 42.44 1.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -137.68 117.13 1.44 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.434 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -66.99 -45.87 76.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 0.0 110.935 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -73.12 -46.89 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 4.9 mtm105 -57.26 -43.31 82.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.731 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.836 ' CE1' HD13 ' C' ' 330' ' ' LEU . 12.8 t80 -61.0 -48.45 81.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.43 179.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -54.3 -34.28 60.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.664 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.5 mtp -66.6 -58.38 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.279 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.417 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 3.6 m-85 -59.86 -30.09 68.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.749 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.4 ttm-85 -67.48 -41.55 84.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.014 0.435 . . . . 0.0 110.074 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -76.65 -24.32 53.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.249 179.047 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.793 HD21 HD21 ' A' ' 344' ' ' LEU . 0.2 OUTLIER -76.06 -35.81 59.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.818 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -73.66 -41.32 62.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.875 0.369 . . . . 0.0 110.583 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.599 ' O ' HD12 ' D' ' 350' ' ' LEU . 46.0 tt0 -71.51 -32.17 67.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.724 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.428 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -74.29 -37.26 63.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.595 HD13 ' CD ' ' C' ' 337' ' ' ARG . 0.5 OUTLIER -70.54 -30.91 67.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.676 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -68.47 -29.36 67.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.806 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.599 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.6 OUTLIER -66.15 -45.75 79.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -66.48 -30.49 70.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -74.06 -33.4 63.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.22 -31.23 49.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.036 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -84.1 -31.16 25.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.85 -30.83 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.073 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.35 -1.25 . . . . 0.0 112.501 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 47.2 mt-10 . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.777 0.322 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -88.91 139.45 30.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.941 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 50.4 m-85 -133.31 115.08 14.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -85.28 150.33 24.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.4 tp -152.52 130.05 11.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.77 93.59 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.484 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.8 mp -86.01 138.75 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.169 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -98.6 31.11 2.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.448 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -127.47 115.79 2.24 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.433 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -61.62 -47.96 83.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.13 -42.84 62.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.656 ' HG3' HD13 ' B' ' 348' ' ' LEU . 6.2 ttm180 -57.91 -48.09 80.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.722 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' B' ' 328' ' ' PHE . 11.2 t80 -59.51 -46.94 87.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.389 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -54.96 -34.05 62.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.663 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.52 -58.49 5.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.238 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.408 ' CD1' ' CD2' ' B' ' 341' ' ' PHE . 4.2 m-85 -59.25 -30.09 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.709 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -65.46 -39.82 92.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.996 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -73.06 -31.87 64.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.65 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.4 OUTLIER -70.75 -46.06 63.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.313 179.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.715 ' OD1' HG23 ' B' ' 332' ' ' ILE . 30.9 t30 -62.88 -38.65 91.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.708 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.8 ' O ' HD23 ' A' ' 350' ' ' LEU . 2.1 tt0 -73.79 -31.51 63.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.729 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.68 -30.89 61.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.023 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.65 HD23 ' O ' ' A' ' 344' ' ' LEU . 4.0 mm? -74.66 -38.31 62.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -71.5 -32.5 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.832 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.8 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -74.72 -37.91 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -30.81 64.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -73.16 -31.44 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.27 -38.94 63.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.056 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.43 -33.03 28.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -88.88 -55.8 3.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.118 0 CA-C-O 118.36 -1.245 . . . . 0.0 112.466 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.793 0.33 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 8.6 m-85 61.17 112.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' HB2' ' CD1' ' A' ' 338' ' ' PHE . 18.4 m-85 -126.87 123.29 36.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -84.96 135.14 34.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.501 HD23 HD11 ' B' ' 332' ' ' ILE . 17.1 tp -135.43 136.72 41.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.33 122.71 39.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.715 HG23 ' OD1' ' A' ' 345' ' ' ASN . 3.9 mp -123.96 145.52 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.141 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ptt180 -98.65 32.4 2.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -138.82 112.27 0.85 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.504 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 ttt85 -60.38 -30.83 69.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -71.59 -52.92 15.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -55.92 -40.85 73.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.751 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -62.58 -47.79 82.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.364 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -54.71 -33.83 61.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.694 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 ttp -66.5 -57.84 6.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.363 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CD2' ' CD1' ' A' ' 341' ' ' PHE . 2.9 m-85 -61.42 -30.59 70.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.728 179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.76 -39.21 76.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.179 179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -78.13 -31.1 49.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.233 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.916 HD11 HD21 ' C' ' 344' ' ' LEU . 0.2 OUTLIER -75.55 -29.65 59.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.525 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -74.95 -42.52 57.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -73.55 -32.25 64.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.684 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.85 -31.03 51.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.656 HD13 ' HG3' ' A' ' 337' ' ' ARG . 4.5 mt -75.87 -30.07 58.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.789 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -71.88 -30.73 65.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.78 -36.43 82.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.28 -40.67 96.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -60.15 -31.77 70.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.36 -31.26 71.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.91 -40.36 91.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.08 -34.01 43.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.526 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.419 ' HB3' ' CZ ' ' C' ' 328' ' ' PHE . 10.9 mt-10 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.821 0.344 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.419 ' CE2' ' HG3' ' D' ' 333' ' ' ARG . 7.1 m-85 -88.9 148.46 23.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' C' ' 326' ' ' GLU . 44.9 m-85 -144.44 98.13 3.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -60.21 146.58 43.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 24.5 tp -145.13 91.66 2.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.06 84.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.497 HG22 ' H ' ' C' ' 334' ' ' GLY . 4.3 mt -79.21 124.48 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.106 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.35 35.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.497 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -137.35 120.92 2.18 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 4.6 ttp85 -60.26 -66.12 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -60.24 -37.76 81.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.827 ' HD2' HD13 ' D' ' 348' ' ' LEU . 1.2 tpp85 -59.76 -52.02 67.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.415 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.1 t80 -59.37 -45.02 92.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.252 179.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -55.58 -33.78 64.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.561 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.2 mtp -66.73 -60.05 3.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.232 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.441 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 5.0 m-85 -60.38 -27.55 67.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.15 -36.9 77.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.097 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -76.6 -31.59 57.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.047 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.916 HD21 HD11 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -71.9 -39.68 69.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.365 179.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.509 ' OD1' HG23 ' D' ' 332' ' ' ILE . 1.3 t30 -65.85 -42.22 90.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.68 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.487 ' O ' HD23 ' C' ' 350' ' ' LEU . 0.4 OUTLIER -68.12 -40.61 82.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.85 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -68.24 -31.26 70.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.426 HD13 ' HB3' ' D' ' 337' ' ' ARG . 16.3 mt -69.14 -38.52 78.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.73 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -61.91 -30.7 71.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.813 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.487 HD23 ' O ' ' C' ' 346' ' ' GLU . 4.2 mm? -68.16 -52.33 35.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 11.0 ptpt -64.68 -30.81 71.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.46 -31.52 65.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.1 -30.89 63.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -87.21 -42.74 12.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.61 87.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.453 179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -141.78 142.87 33.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -152.91 102.69 2.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -60.29 137.73 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.477 HD23 HD11 ' C' ' 332' ' ' ILE . 33.6 tp -136.7 98.03 3.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -83.44 104.63 13.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.823 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.639 HG21 ' HG3' ' D' ' 337' ' ' ARG . 3.5 mp -100.53 136.89 29.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.419 ' HG3' ' CE2' ' C' ' 327' ' ' TYR . 5.7 ttt180 -98.57 31.85 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.423 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -145.01 126.56 2.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.428 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -31.52 61.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.988 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.31 -55.81 5.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.639 ' HG3' HG21 ' D' ' 332' ' ' ILE . 14.7 ptp180 -55.52 -46.36 77.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.766 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.419 ' HD2' HD13 ' D' ' 332' ' ' ILE . 4.2 t80 -59.45 -40.08 85.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.379 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -56.95 -41.93 79.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.704 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 16.8 ttm -61.6 -54.71 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.403 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -60.2 -36.32 77.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.759 179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.18 -39.37 92.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.949 0.404 . . . . 0.0 110.206 179.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -78.32 -29.7 47.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.189 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.702 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -75.59 -30.94 59.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.542 179.603 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -74.95 -42.57 57.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.725 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -73.9 -30.31 62.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.78 -33.47 40.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.019 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.827 HD13 ' HD2' ' C' ' 337' ' ' ARG . 6.8 mt -78.94 -27.01 43.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.841 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -78.8 -28.78 44.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.692 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.62 -39.72 51.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.64 -30.66 63.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -76.88 -31.17 56.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.26 -32.36 61.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.099 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -86.77 -37.21 18.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.4 35.11 1.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 61.35 113.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -128.23 153.0 47.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.436 ' CE1' ' CE ' ' B' ' 331' ' ' LYS . 10.0 m-85 -108.56 142.18 39.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.499 HD22 ' CE1' ' B' ' 338' ' ' PHE . 18.4 tp -153.86 136.42 15.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' B' ' 329' ' ' PHE . 12.5 mtpt -106.53 107.21 18.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 23.0 mm -91.62 127.98 43.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' B' ' 327' ' ' TYR . 0.4 OUTLIER -97.45 37.77 1.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -153.04 126.03 1.9 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -34.07 71.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.796 0.332 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -73.83 -50.49 20.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.877 ' HG2' HD13 ' B' ' 348' ' ' LEU . 9.5 mtm105 -57.12 -40.77 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.588 ' CE2' HD22 ' B' ' 330' ' ' LEU . 10.8 t80 -61.77 -47.78 83.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.432 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.666 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.6 ttp -66.91 -58.1 5.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.253 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -61.38 -28.7 69.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.834 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.44 -36.3 76.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.938 0.399 . . . . 0.0 110.244 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -80.92 -30.17 35.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.103 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -76.73 -30.84 56.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.484 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.479 HD21 HD12 ' B' ' 332' ' ' ILE . 16.9 m-20 -75.82 -42.01 51.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.697 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -75.28 -30.85 60.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.693 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.35 -29.92 42.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.965 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.432 ' CD1' HD23 ' A' ' 344' ' ' LEU . 15.1 mt -77.71 -30.52 51.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.687 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -72.96 -30.51 63.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.66 -38.33 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.832 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.584 ' HD2' ' HB2' ' D' ' 347' ' ' ALA . 8.1 mtpm? -60.72 -38.34 84.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -59.67 -32.51 70.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.06 -31.09 50.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -83.15 -32.1 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -78.47 -38.73 40.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.474 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.843 0.354 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 333' ' ' ARG . 7.2 m-85 60.33 96.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.41 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 5.5 m-85 -108.98 107.79 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.408 ' CD1' ' HG2' ' A' ' 331' ' ' LYS . 83.3 m-85 -60.51 153.19 23.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.588 HD22 ' CE2' ' A' ' 338' ' ' PHE . 21.4 tp -160.66 123.53 3.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.436 ' CE ' ' CE1' ' A' ' 329' ' ' PHE . 0.1 OUTLIER -88.75 93.34 9.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.769 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.479 HD12 HD21 ' A' ' 345' ' ' ASN . 23.6 mm -74.06 95.0 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.098 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -79.01 72.73 5.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.19 128.4 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -68.98 -56.65 7.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.769 0.319 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.73 -41.48 75.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.418 ' HG3' HD13 ' A' ' 348' ' ' LEU . 3.1 ttm180 -57.9 -46.1 85.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.741 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.499 ' CE1' HD22 ' A' ' 330' ' ' LEU . 13.9 t80 -59.41 -48.93 79.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.473 179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.612 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 9.6 mmm -66.95 -59.04 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.302 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.408 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.7 m-85 -59.87 -29.2 68.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.82 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -38.08 84.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.985 0.422 . . . . 0.0 110.085 179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -77.69 -30.93 52.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.297 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.778 ' O ' HD12 ' B' ' 348' ' ' LEU . 0.2 OUTLIER -75.05 -33.15 61.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.512 179.555 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.8 t-20 -72.13 -40.93 67.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.807 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -72.11 -36.44 69.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.759 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.5 61.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.964 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.877 HD13 ' HG2' ' A' ' 337' ' ' ARG . 0.4 OUTLIER -74.89 -30.92 61.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -70.46 -31.07 68.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.71 -38.48 86.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -60.03 -35.65 75.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -64.2 -34.97 79.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.42 80.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.141 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -71.2 -35.24 71.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 31.06 5.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.099 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.346 -1.252 . . . . 0.0 112.492 179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.823 0.344 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 60.41 104.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' C' ' 328' ' ' PHE . 5.0 m-85 -118.52 122.88 43.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.78 136.58 36.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.888 HD13 ' CE1' ' D' ' 338' ' ' PHE . 18.1 tp -129.05 103.97 7.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -83.93 94.28 8.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.67 HD12 ' O ' ' C' ' 330' ' ' LEU . 3.6 mp -99.98 127.32 53.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -86.18 56.35 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.01 110.68 0.47 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.441 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -61.54 -34.56 75.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.812 0.339 . . . . 0.0 110.97 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -76.26 -54.45 6.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.591 ' HD3' HD12 ' D' ' 348' ' ' LEU . 1.7 mtm105 -55.8 -40.19 72.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.671 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.887 ' CE2' HD22 ' D' ' 330' ' ' LEU . 11.7 t80 -63.17 -47.66 81.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.382 179.631 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -54.94 -33.61 62.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.661 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.475 ' O ' HD12 ' C' ' 344' ' ' LEU . 1.8 ttp -66.41 -58.01 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.355 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' D' ' 341' ' ' PHE . 3.3 m-85 -60.96 -31.21 70.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.695 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.9 tpt85 -67.58 -35.85 79.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.185 179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.97 -29.99 39.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.259 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.5 mp -77.11 -33.05 56.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.593 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 38.1 t30 -75.69 -38.47 58.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.804 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.427 ' O ' HD12 ' C' ' 350' ' ' LEU . 20.9 mt-10 -76.11 -31.2 58.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.07 44.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.97 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.9 OUTLIER -78.2 -29.6 48.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.765 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -75.91 -26.99 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.427 HD12 ' O ' ' C' ' 346' ' ' GLU . 3.7 mt -73.84 -38.36 64.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -29.73 69.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.896 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -73.27 -31.54 64.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.851 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.66 -40.16 61.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.074 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -31.68 41.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.16 -31.56 66.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.367 -1.241 . . . . 0.0 112.469 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.837 0.351 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 60.85 111.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.442 ' HB3' ' CD2' ' C' ' 338' ' ' PHE . 20.2 m-85 -121.71 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 15.1 p90 -106.28 147.34 29.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.887 HD22 ' CE2' ' C' ' 338' ' ' PHE . 1.4 pt? -151.83 138.67 18.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -76.19 110.22 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.822 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.558 HD11 ' CD1' ' D' ' 330' ' ' LEU . 24.7 mm -93.81 104.81 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.091 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -73.86 90.26 1.9 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 152.4 124.39 1.06 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.454 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? -64.43 -36.72 85.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.806 0.336 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -77.63 -42.54 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.823 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.757 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.92 -51.02 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.635 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.888 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.6 t80 -61.05 -44.6 97.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.203 179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -56.71 -32.68 65.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.378 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 1.2 ttp -67.0 -60.7 2.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.171 179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE1' ' HG3' ' D' ' 337' ' ' ARG . 3.7 m-85 -62.02 -28.33 69.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.75 179.606 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -34.5 70.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.13 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -80.41 -31.61 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.264 179.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 344' ' ' LEU . 96.1 mt -76.02 -29.92 58.28 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.619 179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.518 ' ND2' HG23 ' C' ' 332' ' ' ILE . 51.1 t30 -76.31 -41.69 47.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.692 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -74.27 -30.96 62.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.696 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.584 ' HB2' ' HD2' ' A' ' 351' ' ' LYS . . . -78.43 -30.66 47.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.022 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.591 HD12 ' HD3' ' C' ' 337' ' ' ARG . 14.8 mt -77.55 -29.79 52.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -75.44 -31.81 60.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.788 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 6.0 mt -75.38 -41.16 57.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.814 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -29.29 62.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -77.62 -30.93 52.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.1 -34.8 59.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -82.99 -34.75 26.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.17 -32.6 63.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.084 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.416 -1.214 . . . . 0.0 112.515 -180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.855 0.36 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 61.14 112.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -130.06 98.42 4.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.431 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 57.1 m-85 -60.96 135.02 57.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.41 HD13 ' CE2' ' B' ' 338' ' ' PHE . 35.2 tp -139.1 90.69 2.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.943 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -70.65 99.19 1.63 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.8 mt -98.9 128.11 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -94.18 75.34 4.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.08 123.1 0.91 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -68.2 -45.79 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.936 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -72.52 -43.43 63.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.647 ' HG3' HD22 ' B' ' 348' ' ' LEU . 8.8 mmt-85 -58.57 -51.26 70.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.711 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.825 ' CE1' HD13 ' B' ' 330' ' ' LEU . 5.6 t80 -58.07 -41.51 83.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.484 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.18 -38.66 73.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.509 179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 4.6 mtm -67.36 -59.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.991 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.51 ' HE1' HD13 ' B' ' 344' ' ' LEU . 7.7 m-85 -61.93 -20.9 64.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.171 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -75.45 -33.46 60.88 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.986 0.422 . . . . 0.0 109.998 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -78.22 -30.6 48.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.271 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.785 ' O ' HD23 ' A' ' 348' ' ' LEU . 3.6 mp -72.46 -36.16 68.43 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -71.11 -43.43 67.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.688 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -68.73 -31.22 70.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.825 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.18 -34.99 71.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.055 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.785 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -69.26 -41.02 77.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.779 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -64.58 -29.66 70.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.4 mt -67.51 -41.45 84.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 8.4 ttmm -59.49 -30.06 68.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -62.6 -46.82 86.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.757 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.61 -29.25 69.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.63 21.96 16.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -93.8 -34.38 13.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.079 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.54 179.969 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.812 0.339 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.78 111.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.45 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -132.19 102.35 5.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -62.56 132.16 51.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.825 HD13 ' CE1' ' A' ' 338' ' ' PHE . 11.0 tp -131.75 100.61 5.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.431 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 41.7 mttt -66.85 83.67 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.823 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mt -79.4 103.05 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 4.1 ptt180 -79.86 64.93 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -170.52 112.91 0.48 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.484 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 20.2 ptt85 -60.37 -40.92 92.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -72.03 -50.43 28.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 1.9 mtm105 -56.1 -40.75 74.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.705 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.41 ' CE2' HD13 ' A' ' 330' ' ' LEU . 12.7 t80 -61.19 -48.59 80.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.434 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -53.8 -34.69 59.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.72 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 7.1 ttm -66.2 -58.48 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.312 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -61.66 -30.0 70.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.695 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -68.47 -35.7 77.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.1 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -75.5 -33.3 60.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.277 179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.775 HD21 HD11 ' C' ' 344' ' ' LEU . 0.3 OUTLIER -72.31 -39.1 68.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.439 179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.9 -39.07 90.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.481 179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -69.02 -46.6 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -65.88 -26.24 67.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.647 HD22 ' HG3' ' A' ' 337' ' ' ARG . 9.1 tp -70.82 -41.59 71.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.867 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -70.28 -27.96 64.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 7.2 mt -77.14 -41.04 43.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.82 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.59 -29.8 62.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.8 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.67 -30.05 56.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.37 -31.1 63.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.082 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -70.97 -34.59 71.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.38 -36.02 77.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.087 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.522 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.778 0.323 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.42 ' CE1' ' HD2' ' D' ' 333' ' ' ARG . 15.5 m-85 61.36 113.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.447 ' HB2' ' CD1' ' D' ' 338' ' ' PHE . 22.3 m-85 -127.14 114.33 17.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -87.27 140.43 29.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.857 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.629 HD22 HG13 ' C' ' 332' ' ' ILE . 1.2 tt -149.09 126.15 11.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.6 87.09 3.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.629 HG13 HD22 ' C' ' 330' ' ' LEU . 3.7 mp -71.86 132.94 32.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.404 ' HG3' ' CE1' ' D' ' 327' ' ' TYR . 4.9 ttt180 -103.53 76.8 1.44 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 179.56 141.32 4.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -76.67 -45.94 27.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.829 0.347 . . . . 0.0 110.944 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.61 -46.17 40.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.782 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.68 -49.7 75.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.66 179.812 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -61.29 -44.8 96.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.216 179.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -57.11 -32.3 66.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.505 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.607 ' O ' HD12 ' C' ' 344' ' ' LEU . 5.2 ttm -67.66 -58.75 4.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.31 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.54 ' HE2' HD22 ' D' ' 344' ' ' LEU . 2.1 m-85 -63.4 -29.56 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.695 179.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.57 -31.94 69.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.115 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -77.42 -34.03 54.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.406 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.775 HD11 HD21 ' B' ' 344' ' ' LEU . 2.0 mp -72.8 -37.51 67.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.537 179.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -68.6 -38.92 81.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.394 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.401 ' O ' HD23 ' C' ' 350' ' ' LEU . 5.3 tt0 -70.2 -44.96 67.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.559 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.643 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -68.11 -28.09 67.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.701 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.913 HD22 ' HG2' ' D' ' 337' ' ' ARG . 7.4 tp -70.67 -37.89 73.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.744 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -65.05 -31.3 72.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.401 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.8 mm? -66.49 -40.32 89.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.483 ' NZ ' ' HB2' ' B' ' 347' ' ' ALA . 0.1 OUTLIER -59.82 -32.51 70.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.41 -31.48 65.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.15 -38.13 57.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -30.77 25.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -110.88 30.72 6.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.087 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.509 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.839 0.352 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.404 ' CE1' ' HG3' ' C' ' 333' ' ' ARG . 6.3 m-85 -82.68 110.14 17.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -93.73 109.76 21.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -64.33 151.79 42.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.463 ' CD2' HD11 ' D' ' 332' ' ' ILE . 13.5 tp -161.77 107.32 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -107.5 108.69 20.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.463 HD11 ' CD2' ' D' ' 330' ' ' LEU . 4.9 mt -112.35 142.4 24.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.42 ' HD2' ' CE1' ' C' ' 327' ' ' TYR . 9.7 ttt-85 -98.66 35.4 1.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -118.46 112.56 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -59.4 -51.75 68.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -70.72 -46.83 62.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.913 ' HG2' HD22 ' C' ' 348' ' ' LEU . 1.3 tpp180 -57.64 -48.96 78.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.744 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.599 ' CE1' HD12 ' C' ' 330' ' ' LEU . 8.4 t80 -61.59 -44.44 97.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.132 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.69 -34.19 64.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.5 ttm -65.76 -60.15 3.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.175 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.579 ' HE1' HD22 ' C' ' 344' ' ' LEU . 5.8 m-85 -59.3 -29.11 67.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.841 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -33.5 75.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.078 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -78.56 -32.13 47.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.36 179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.768 HD21 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.48 -33.39 64.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.611 179.618 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.497 ' OD1' HG23 ' C' ' 332' ' ' ILE . 18.3 m-80 -72.68 -42.51 64.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.749 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 -32.29 66.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.76 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.83 -32.71 57.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.007 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.782 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.51 -31.05 60.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.736 179.873 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -72.23 -29.11 63.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.769 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.94 -33.99 75.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.68 -47.86 79.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.75 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.21 -28.54 66.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.49 20.06 19.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.06 -37.96 9.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.821 0.343 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.484 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.401 ' HB3' ' CZ ' ' A' ' 328' ' ' PHE . 22.2 mt-10 . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.815 0.34 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -89.8 152.91 21.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.401 ' CZ ' ' HB3' ' A' ' 326' ' ' GLU . 27.3 m-85 -146.31 108.52 4.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HE3' ' B' ' 331' ' ' LYS . 85.6 m-85 -62.8 152.7 35.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.876 HD12 ' CE1' ' B' ' 338' ' ' PHE . 6.7 tt -161.62 118.49 2.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.909 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.401 ' HD3' ' CE2' ' B' ' 329' ' ' PHE . 0.2 OUTLIER -85.48 123.85 31.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 4.0 mp -112.63 107.42 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.1 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.409 ' HG3' ' CE1' ' B' ' 327' ' ' TYR . 5.3 ttt180 -82.01 59.63 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.73 132.39 2.12 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ttp180 -73.85 -32.58 63.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.944 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -75.17 -52.06 11.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 1.6 ttm105 -56.31 -40.85 75.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.717 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.804 ' CE2' HD13 ' B' ' 330' ' ' LEU . 12.5 t80 -62.55 -47.97 81.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.381 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -33.21 62.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.693 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.1 ttp -66.74 -57.89 6.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.359 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' B' ' 341' ' ' PHE . 2.7 m-85 -62.4 -31.02 71.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.765 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 8.5 tmm_? -70.65 -35.63 72.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.227 179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -80.67 -31.76 36.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.18 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.723 HD21 ' CD2' ' D' ' 344' ' ' LEU . 1.6 mt -77.27 -31.05 54.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.446 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -76.6 -40.4 49.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.545 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.65 ' O ' HD12 ' A' ' 350' ' ' LEU . 17.8 mt-10 -73.83 -32.82 63.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.638 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.76 -32.54 59.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.788 HD13 ' CG ' ' B' ' 337' ' ' ARG . 1.6 mt -73.35 -33.3 65.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.653 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -67.98 -30.4 69.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.774 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.65 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.3 OUTLIER -65.88 -37.8 87.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.865 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mttm -58.99 -38.28 78.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.04 -44.21 96.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.38 -31.19 71.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -70.91 -31.48 68.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.83 -30.97 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.495 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.433 ' HB3' ' CZ ' ' B' ' 328' ' ' PHE . 5.2 mm-40 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.849 0.357 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 333' ' ' ARG . 12.7 m-85 -88.07 152.6 21.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.433 ' CZ ' ' HB3' ' B' ' 326' ' ' GLU . 58.8 m-85 -147.69 102.72 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.922 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.401 ' CE2' ' HD3' ' A' ' 331' ' ' LYS . 90.0 m-85 -60.35 133.47 56.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.804 HD13 ' CE2' ' A' ' 338' ' ' PHE . 18.0 tp -134.44 112.24 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 329' ' ' PHE . 5.1 mtpt -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.739 HD11 HD23 ' B' ' 330' ' ' LEU . 26.9 mm -78.91 127.38 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.128 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -98.6 32.5 2.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.534 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -148.37 124.76 1.93 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.525 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -60.63 -46.89 88.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.73 -43.22 69.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.788 ' CG ' HD13 ' A' ' 348' ' ' LEU . 26.8 mtm-85 -57.92 -44.96 87.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.876 ' CE1' HD12 ' A' ' 330' ' ' LEU . 12.6 t80 -59.85 -48.44 81.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.525 179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -54.87 -32.88 61.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.6 ttp -67.38 -58.08 5.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.322 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.483 ' CD1' ' CD1' ' A' ' 341' ' ' PHE . 3.0 m-85 -61.82 -29.43 70.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.722 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -69.44 -35.57 75.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.918 0.389 . . . . 0.0 110.224 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.12 -31.94 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.256 179.333 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.737 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -76.55 -31.57 57.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.45 179.504 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -74.05 -40.49 62.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.667 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.636 ' O ' HD23 ' B' ' 350' ' ' LEU . 11.2 tt0 -72.29 -35.84 68.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.643 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.46 -30.33 64.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.923 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.692 HD23 ' O ' ' B' ' 344' ' ' LEU . 2.2 mm? -72.21 -38.75 68.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.698 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -64.81 -29.91 70.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.636 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.8 mm? -70.27 -48.64 55.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.512 ' HD2' HD13 ' B' ' 348' ' ' LEU . 18.0 ptpt -64.74 -30.66 71.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -69.24 -31.42 69.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.04 -30.94 69.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 mm-40 -71.37 -46.24 60.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.75 33.5 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.434 -1.203 . . . . 0.0 112.532 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.815 0.341 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 60.7 111.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -122.62 123.92 42.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.444 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 0.9 OUTLIER -79.66 106.74 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.595 HD13 ' CE1' ' D' ' 338' ' ' PHE . 20.8 tp -108.29 95.86 5.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -79.93 111.29 16.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.547 HG22 ' H ' ' C' ' 334' ' ' GLY . 28.2 mm -103.01 132.51 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.37 32.88 3.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.547 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -133.12 126.17 4.3 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.494 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -63.79 -46.24 86.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.348 . . . . 0.0 110.93 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -75.3 -47.61 27.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.643 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -57.07 -47.17 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.741 179.883 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -60.52 -45.43 93.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.358 179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -55.44 -34.56 64.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.621 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 10.3 mtp -66.53 -58.52 5.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.355 179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.403 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 2.9 m-85 -62.01 -28.7 69.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.709 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -69.63 -34.43 74.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.977 0.418 . . . . 0.0 110.242 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -79.23 -32.05 43.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.305 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.808 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.07 -30.81 61.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.566 179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -75.21 -41.62 57.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.741 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.71 -31.18 64.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.732 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.81 -33.06 58.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.808 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -74.18 -31.16 62.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.777 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -71.15 -30.06 65.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.58 -43.33 73.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.489 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.2 OUTLIER -66.39 -30.63 71.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.902 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -68.73 -31.63 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.25 -31.28 71.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -78.99 -42.3 26.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.1 -50.36 73.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.522 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.795 0.331 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -99.61 151.79 20.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -142.57 91.32 2.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.11 134.61 57.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.534 HD23 HD11 ' D' ' 332' ' ' ILE . 7.3 tp -145.81 108.75 4.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.92 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.444 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 7.5 ttmm -100.67 129.64 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.534 HD11 HD23 ' D' ' 330' ' ' LEU . 3.5 mp -130.17 129.93 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.071 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -68.07 -34.03 75.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.938 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -59.63 114.63 6.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.575 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 -66.44 -40.58 89.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.816 0.341 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.88 -35.91 77.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.512 ' HG3' ' CE2' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -59.76 -51.6 69.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.833 179.878 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.595 ' CE1' HD13 ' C' ' 330' ' ' LEU . 9.6 t80 -58.5 -45.88 87.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.364 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -55.34 -32.3 62.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.452 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.524 ' SD ' HD22 ' C' ' 344' ' ' LEU . 16.9 ttm -67.22 -62.05 1.62 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.95 179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.512 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 7.7 m-85 -57.69 -27.54 63.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.83 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 29.1 ttt-85 -66.17 -38.42 88.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.123 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -32.27 61.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.102 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.723 ' CD2' HD21 ' A' ' 344' ' ' LEU . 4.0 mm? -72.9 -42.56 63.43 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.322 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -67.47 -38.32 84.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.674 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -76.37 -32.13 58.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.686 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -29.72 47.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.991 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.643 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.8 OUTLIER -78.59 -31.02 46.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -76.22 -31.26 58.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.17 -32.01 64.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 7.6 ttmt -69.18 -31.38 69.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -67.27 -32.27 73.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.52 64.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.065 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -72.04 -32.52 67.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.22 -32.09 43.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.494 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' B' ' 333' ' ' ARG . 6.2 m-85 -107.65 145.42 33.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.423 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 3.6 m-85 -134.2 152.38 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -104.78 135.02 46.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.891 HD13 ' CE1' ' B' ' 338' ' ' PHE . 21.0 tp -135.28 98.47 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' B' ' 329' ' ' PHE . 3.5 pttm -78.54 108.68 12.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.731 HD11 HD23 ' A' ' 330' ' ' LEU . 4.6 mt -114.98 140.66 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.039 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.71 158.63 19.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.851 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.73 124.77 0.1 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.543 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -31.57 72.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -66.07 -49.57 67.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.45 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 1.1 tpp180 -57.2 -47.15 82.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.696 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.717 ' CD1' HD12 ' B' ' 330' ' ' LEU . 8.2 t80 -61.67 -44.34 97.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.252 179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -55.68 -33.87 64.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.1 tpp -66.6 -61.14 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.074 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.784 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.4 m-85 -58.95 -27.58 65.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.792 179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -67.37 -39.39 85.68 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.038 0.447 . . . . 0.0 109.955 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.25 -36.16 66.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.229 179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.985 HD22 HD21 ' D' ' 344' ' ' LEU . 7.2 mt -67.48 -29.86 69.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.382 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.626 HD21 HG23 ' B' ' 332' ' ' ILE . 1.3 t-20 -69.94 -51.79 29.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.619 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -65.92 -32.23 73.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.751 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.79 -35.44 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.783 HD23 ' O ' ' A' ' 344' ' ' LEU . 2.8 mm? -68.22 -32.09 72.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.633 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -64.26 -30.7 71.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.818 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 19.9 mt -63.8 -49.35 73.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -59.17 -31.52 69.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.94 -39.42 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.5 -31.17 71.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -93.46 -38.94 11.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -107.32 37.42 2.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.104 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.422 -1.21 . . . . 0.0 112.481 -179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.8 0.333 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 60.5 97.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -105.84 126.6 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 331' ' ' LYS . 8.5 m-85 -81.95 119.93 24.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.717 HD12 ' CD1' ' A' ' 338' ' ' PHE . 1.5 tt -105.18 93.25 4.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -66.43 84.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.626 HG23 HD21 ' A' ' 345' ' ' ASN . 4.5 mt -81.13 135.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.079 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 327' ' ' TYR . 2.0 ttt180 -102.08 34.62 2.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.531 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -142.76 129.39 3.79 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -71.0 -39.89 72.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.782 0.325 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -73.81 -53.7 9.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 8.5 mtm180 -55.42 -40.85 71.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.734 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.891 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.6 t80 -61.66 -47.14 86.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.396 179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -54.35 -34.83 61.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.637 179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.16 -58.75 4.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.288 179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -62.26 -30.0 70.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.712 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.41 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -69.44 -33.81 73.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.139 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -80.17 -31.65 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.172 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.6 HD21 ' CG ' ' C' ' 344' ' ' LEU . 1.3 mt -75.23 -33.9 61.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.468 179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -74.32 -41.27 61.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.577 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -72.05 -31.5 66.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.703 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.18 -32.49 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.953 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.437 HD12 ' O ' ' B' ' 344' ' ' LEU . 12.3 mt -71.84 -40.27 69.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -67.93 -30.92 70.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -71.27 -35.47 71.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.845 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -65.34 -35.22 80.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -61.86 -34.33 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.946 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.89 -31.23 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -85.97 -33.97 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.58 -75.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.092 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.525 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' C' ' 328' ' ' PHE . 8.2 mt-10 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.813 0.34 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -103.66 126.2 50.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' C' ' 326' ' ' GLU . 35.6 m-85 -114.75 138.0 51.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.407 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 12.5 m-85 -104.54 125.32 50.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.616 HD23 HD11 ' C' ' 332' ' ' ILE . 17.4 tp -143.95 128.46 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.407 ' HE2' ' CE2' ' D' ' 329' ' ' PHE . 0.4 OUTLIER -102.23 95.84 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.894 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.616 HD11 HD23 ' C' ' 330' ' ' LEU . 31.0 mm -71.44 135.47 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.425 ' HG3' ' CZ ' ' D' ' 327' ' ' TYR . 0.8 OUTLIER -105.95 74.8 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.1 139.3 2.78 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.519 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -41.59 53.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.773 0.321 . . . . 0.0 110.896 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.2 -48.02 25.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.517 ' HG3' HD13 ' D' ' 348' ' ' LEU . 4.7 ttm180 -56.85 -45.45 82.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.753 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -60.98 -46.99 88.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.406 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.07 -33.42 62.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.59 179.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.9 mtp -66.75 -58.96 4.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.299 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.425 ' CZ ' ' HG2' ' C' ' 337' ' ' ARG . 3.6 m-85 -61.03 -29.54 69.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.798 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.96 -37.51 78.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.989 0.423 . . . . 0.0 110.161 179.356 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -79.03 -31.61 44.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.189 179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' C' ' 348' ' ' LEU . 0.4 OUTLIER -75.19 -30.32 60.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.465 179.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -74.38 -43.21 57.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.707 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.9 -30.59 62.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.38 -30.72 48.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.041 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.733 HD12 ' O ' ' C' ' 344' ' ' LEU . 2.4 mt -76.93 -31.07 56.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.793 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.96 -29.59 63.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -35.87 77.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 6.6 mtpp -66.15 -36.13 82.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.836 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -64.27 -34.22 77.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.17 -31.35 71.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -115.21 31.2 6.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.13 -31.83 9.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.057 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.493 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.823 0.344 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.425 ' CZ ' ' HG3' ' C' ' 333' ' ' ARG . 64.8 m-85 60.38 110.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -137.63 120.55 16.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HE2' ' C' ' 331' ' ' LYS . 8.9 m-85 -68.48 141.84 55.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 15.9 tp -154.15 113.25 3.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.407 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 4.3 mtpm? -87.33 83.65 7.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.833 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -71.26 107.16 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -83.28 72.64 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.861 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.88 124.57 0.96 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -64.29 -46.05 85.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 0.0 110.933 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.59 -43.44 63.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.652 ' HG2' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.32 -48.34 79.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.782 179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.61 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.2 -46.79 87.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.516 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -55.72 -34.22 64.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.654 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.55 ' HE1' HD11 ' C' ' 348' ' ' LEU . 4.2 ttp -67.22 -58.09 5.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.267 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.413 ' CD2' ' CD2' ' C' ' 341' ' ' PHE . 2.8 m-85 -63.74 -29.36 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.764 179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -72.41 -36.24 68.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.092 179.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.41 -30.36 42.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.04 179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.985 HD21 HD22 ' A' ' 344' ' ' LEU . 0.1 OUTLIER -76.88 -39.03 52.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.45 179.439 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.75 -34.83 67.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -75.27 -31.43 60.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.82 -34.81 60.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.517 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.8 mt -74.35 -32.59 62.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.784 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.19 -29.42 63.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.52 -35.5 77.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.886 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -62.87 -40.21 96.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.34 -31.94 70.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.67 -31.65 70.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -77.47 -32.31 54.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.24 -36.0 40.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.499 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.795 0.331 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.409 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 33.7 m-85 -139.83 90.41 2.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -88.99 102.71 15.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -106.97 131.82 53.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.857 HD22 ' CE1' ' B' ' 338' ' ' PHE . 1.0 OUTLIER -129.26 137.24 50.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.435 ' HE3' ' CG ' ' B' ' 327' ' ' TYR . 6.5 ttpt -78.09 124.29 27.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.574 HG23 ' OD1' ' B' ' 345' ' ' ASN . 3.5 mp -118.54 134.16 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.113 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.424 ' HB3' ' CZ ' ' B' ' 327' ' ' TYR . 23.1 ptt85 -93.6 71.6 4.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -174.06 125.08 1.08 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 22.1 ttt180 -74.35 -34.8 63.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -74.86 -50.74 15.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 4.0 mtm105 -55.86 -44.0 77.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.722 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -61.02 -47.24 87.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.447 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -54.94 -33.51 62.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.616 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 8.2 ttm -66.69 -59.27 3.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.257 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.522 ' HB2' HD22 ' B' ' 330' ' ' LEU . 3.5 m-85 -61.12 -29.82 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.818 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -35.72 75.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.993 0.425 . . . . 0.0 110.168 179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -79.59 -30.14 41.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.164 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.79 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.4 mp -76.46 -34.95 58.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.589 179.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.46 -38.48 62.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.703 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -74.91 -33.24 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.743 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.6 54.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.865 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.79 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -75.44 -30.85 60.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.73 179.781 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -70.99 -30.84 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.785 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.39 -36.03 81.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -66.53 -41.89 88.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.42 -31.72 72.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.75 -35.53 80.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.11 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.38 -39.6 85.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.11 -41.68 25.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.523 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.427 ' CB ' ' CZ ' ' B' ' 328' ' ' PHE . 2.8 mp0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.84 0.353 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CG ' ' HE3' ' A' ' 331' ' ' LYS . 8.9 m-85 -96.43 148.12 23.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.427 ' CZ ' ' CB ' ' B' ' 326' ' ' GLU . 17.7 m-85 -151.6 117.17 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -72.47 113.66 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 341' ' ' PHE . 6.3 tp -106.51 103.92 13.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -75.64 128.67 35.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.419 HD11 HD23 ' B' ' 330' ' ' LEU . 2.3 mt -126.29 118.74 52.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.173 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.409 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 1.2 ttt180 -92.48 82.93 4.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 161.77 132.44 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -61.1 2.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.777 0.323 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -33.62 71.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.807 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.754 ' HD2' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -62.48 -56.46 17.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.448 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.857 ' CE1' HD22 ' A' ' 330' ' ' LEU . 6.0 t80 -61.33 -42.62 98.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.809 179.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -57.07 -31.67 65.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.425 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.543 ' O ' HD12 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -66.95 -61.64 1.84 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.129 179.312 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.498 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 8.5 m-85 -59.5 -27.67 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.97 179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -33.83 74.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.953 0.406 . . . . 0.0 110.034 179.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -79.56 -32.09 42.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.416 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.689 ' O ' HD23 ' B' ' 348' ' ' LEU . 3.6 mp -76.62 -31.58 57.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.574 ' OD1' HG23 ' A' ' 332' ' ' ILE . 1.4 t30 -75.11 -38.2 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.658 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -70.89 -35.11 72.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.77 -38.43 67.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.689 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.8 mm? -68.8 -29.95 68.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.6 179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -74.12 -46.98 39.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.823 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.743 HD12 ' N ' ' B' ' 351' ' ' LYS . 4.3 pp -72.33 -27.32 62.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.778 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.743 ' N ' HD12 ' B' ' 350' ' ' LEU . 0.4 OUTLIER -79.89 -31.17 40.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.69 179.792 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.69 -31.15 63.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.72 -30.59 69.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.983 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -65.23 -31.85 73.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.35 -49.99 10.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.083 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.511 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 60.3 109.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -132.11 108.48 9.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -61.53 152.75 29.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.439 HD13 ' CD2' ' D' ' 338' ' ' PHE . 6.2 tp -139.68 84.02 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -66.54 83.47 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' C' ' 338' ' ' PHE . 3.4 mt -73.86 152.06 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.441 ' HG2' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -117.82 82.33 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 157.27 144.64 3.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 52.6 ttt-85 -74.38 -41.21 61.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.13 -40.72 62.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.55 -51.11 71.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.691 179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.402 ' HA ' HD13 ' C' ' 332' ' ' ILE . 9.5 t80 -59.03 -45.72 90.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.483 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -57.22 -32.88 66.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.547 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.401 ' O ' HD23 ' C' ' 344' ' ' LEU . 4.1 ttm -68.59 -58.96 3.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.27 179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.412 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.2 m-85 -64.53 -26.71 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.868 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -76.45 -36.48 57.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.059 179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -75.57 -33.36 60.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.95 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.805 ' O ' HD13 ' C' ' 348' ' ' LEU . 3.5 mm? -74.08 -44.33 54.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.209 179.318 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -65.49 -32.15 73.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.597 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.81 -46.5 52.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.685 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -67.61 -24.72 65.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.805 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.5 mp -74.58 -40.47 61.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -68.15 -26.52 65.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.4 mt -72.4 -41.07 66.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -68.59 -28.33 66.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -73.49 -31.42 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.21 52.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.18 -30.54 25.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.86 34.93 1.79 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.357 -1.246 . . . . 0.0 112.505 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.43 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.841 0.353 . . . . 0.0 111.21 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' C' ' 333' ' ' ARG . 5.3 m-85 -86.77 152.89 22.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.43 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 40.0 m-85 -146.84 126.37 13.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -83.57 116.36 22.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 40.6 tp -114.97 100.15 7.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 28.4 tttp -71.79 107.35 4.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.585 HD13 ' HD1' ' D' ' 341' ' ' PHE . 4.1 mt -109.23 121.83 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.056 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -95.43 75.76 3.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 178.01 119.82 0.61 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -60.41 -37.15 79.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.93 -46.24 37.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.441 ' NE ' HD23 ' C' ' 348' ' ' LEU . 8.3 ttm180 -58.0 -49.71 75.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.702 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.439 ' CD2' HD13 ' C' ' 330' ' ' LEU . 6.8 t80 -59.69 -42.99 94.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.336 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -55.72 -34.5 65.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.537 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 13.5 ttm -66.74 -61.24 2.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.112 179.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.585 ' HD1' HD13 ' D' ' 332' ' ' ILE . 5.6 m-85 -61.41 -26.66 68.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.821 179.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -70.98 -33.89 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.078 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -81.12 -31.42 34.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.243 179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.781 ' O ' HD23 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -75.59 -30.61 59.65 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 179.512 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -75.66 -43.22 48.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.575 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.485 ' O ' HD23 ' D' ' 350' ' ' LEU . 14.9 tt0 -72.54 -31.31 65.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.628 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.51 -34.41 58.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.832 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.781 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.4 mm? -71.6 -31.9 67.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.524 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.81 -31.71 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.741 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.485 HD23 ' O ' ' D' ' 346' ' ' GLU . 3.5 mm? -67.79 -34.56 77.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.794 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.74 -39.25 93.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.72 -34.08 76.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.31 -31.28 72.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.071 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -73.96 -31.44 63.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -124.27 77.11 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.108 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.11 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.49 -179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.826 0.346 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' B' ' 333' ' ' ARG . 68.3 m-85 60.68 111.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -121.21 109.48 15.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.429 ' CE2' ' HB3' ' B' ' 331' ' ' LYS . 95.2 m-85 -82.41 101.42 10.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.572 HD13 ' CE2' ' B' ' 338' ' ' PHE . 4.6 tp -96.18 108.13 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -70.82 83.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.412 HG23 ' HE ' ' A' ' 337' ' ' ARG . 3.5 mt -79.24 99.98 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' B' ' 327' ' ' TYR . 2.2 mpp_? -85.26 57.08 4.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -156.98 116.48 0.72 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.415 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 -58.38 -46.83 85.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.833 0.349 . . . . 0.0 111.03 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -74.55 -46.95 35.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.457 ' HG2' ' CE2' ' A' ' 341' ' ' PHE . 7.0 ttp180 -58.2 -49.72 76.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.724 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -60.38 -42.21 95.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.269 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -56.3 -34.57 66.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.488 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 2.2 ttp -66.95 -61.36 1.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.105 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.457 ' CE2' ' HG2' ' A' ' 337' ' ' ARG . 5.1 m-85 -62.11 -25.45 67.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.884 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -37.26 67.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.983 0.42 . . . . 0.0 109.996 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -75.9 -31.65 59.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.966 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.847 HD11 ' CD2' ' D' ' 344' ' ' LEU . 0.1 OUTLIER -73.95 -43.54 57.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.375 179.442 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -65.99 -32.15 73.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.751 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.07 -32.7 61.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.08 -28.39 54.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.971 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.865 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.3 OUTLIER -76.96 -35.49 57.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 179.899 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.65 -29.24 64.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.825 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 9.4 mt -72.8 -41.36 65.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.457 ' HB3' HD13 ' D' ' 350' ' ' LEU . 10.5 ptmt -71.66 -30.49 65.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.837 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -74.45 -31.24 62.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.71 -36.31 70.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -31.27 22.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.61 -40.75 55.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.532 179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.802 0.334 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CD1' ' HG3' ' A' ' 333' ' ' ARG . 70.1 m-85 60.26 101.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.2 m-85 -121.01 95.77 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -65.34 150.93 47.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' B' ' 332' ' ' ILE . 14.6 tp -148.05 108.49 4.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.429 ' HB3' ' CE2' ' A' ' 329' ' ' PHE . 4.2 ptmm? -98.38 128.64 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' B' ' 330' ' ' LEU . 3.7 mp -136.57 136.89 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.431 ' HG3' ' CZ ' ' A' ' 327' ' ' TYR . 0.0 OUTLIER -98.4 33.26 2.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.407 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -132.5 113.19 1.24 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.495 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.44 -30.68 69.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.813 0.34 . . . . 0.0 110.941 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -73.2 -52.26 14.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.865 ' HG3' HD13 ' A' ' 348' ' ' LEU . 6.7 ttm180 -56.07 -47.55 77.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.662 179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.572 ' CE2' HD13 ' A' ' 330' ' ' LEU . 8.5 t80 -61.92 -45.01 95.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.203 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -55.8 -33.75 64.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.565 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -66.06 -59.6 3.63 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.239 179.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.21 -29.74 67.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -37.16 84.22 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.939 0.399 . . . . 0.0 110.033 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -76.28 -31.66 58.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.818 ' O ' HD13 ' B' ' 348' ' ' LEU . 4.5 mp -75.03 -41.01 60.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.412 179.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -67.26 -32.96 74.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.469 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -71.91 -47.3 53.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.633 179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -66.98 -27.38 67.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.818 HD13 ' O ' ' B' ' 344' ' ' LEU . 6.2 mp -72.07 -38.53 69.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.779 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -29.48 69.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.64 -43.46 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -68.05 -30.61 69.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -71.54 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.11 -31.06 58.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -80.19 -31.53 38.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.5 -33.15 23.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.42 -1.211 . . . . 0.0 112.545 -179.947 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.825 0.345 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 60.53 110.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -123.39 108.0 12.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -76.8 125.87 30.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.681 HD12 ' CE1' ' D' ' 338' ' ' PHE . 4.0 tt -113.15 139.6 48.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.821 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.477 ' N ' HD23 ' C' ' 330' ' ' LEU . 0.0 OUTLIER -99.72 114.73 28.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.715 HG21 ' N ' ' C' ' 338' ' ' PHE . 3.6 mp -95.16 113.3 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.94 51.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.52 144.86 7.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.515 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -69.8 -58.23 4.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.78 0.324 . . . . 0.0 110.875 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.38 -39.82 88.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' C' ' 341' ' ' PHE . 0.3 OUTLIER -59.63 -52.38 65.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.631 179.82 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.715 ' N ' HG21 ' C' ' 332' ' ' ILE . 7.6 t80 -61.72 -44.71 96.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.054 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.83 -31.62 64.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.365 179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -67.31 -61.22 2.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.527 ' CE1' ' HG3' ' C' ' 337' ' ' ARG . 5.9 m-85 -59.27 -28.06 66.39 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.819 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -37.61 82.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.894 0.378 . . . . 0.0 110.135 179.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -78.06 -30.13 49.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.179 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.787 HD11 HD21 ' B' ' 344' ' ' LEU . 0.4 OUTLIER -75.6 -36.05 60.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.499 179.575 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -71.8 -38.29 70.26 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.812 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.438 ' O ' HD12 ' C' ' 350' ' ' LEU . 4.6 tt0 -73.26 -30.29 63.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.753 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.601 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -78.07 -39.88 40.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.01 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.847 HD22 ' NE ' ' D' ' 337' ' ' ARG . 4.6 pp -76.28 -25.87 55.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.677 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . 0.575 ' N ' HD12 ' C' ' 348' ' ' LEU . 4.9 tt0 -78.29 -29.72 48.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.438 HD12 ' O ' ' C' ' 346' ' ' GLU . 4.9 mt -71.31 -31.61 67.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -72.71 -31.46 65.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.44 -36.17 71.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.05 -38.93 79.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -81.33 -31.14 33.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.16 38.18 1.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.078 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.416 -1.213 . . . . 0.0 112.482 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -97.07 151.66 19.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -139.17 155.01 48.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.03 124.68 31.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.829 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.961 HD23 HD11 ' D' ' 332' ' ' ILE . 12.7 tp -131.08 153.1 49.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -98.81 110.26 22.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.961 HD11 HD23 ' D' ' 330' ' ' LEU . 28.5 mm -109.93 95.62 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 104.82 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.847 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.97 133.08 2.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -74.63 -38.66 62.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.767 0.317 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -77.25 -45.18 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.847 ' NE ' HD22 ' C' ' 348' ' ' LEU . 0.1 OUTLIER -58.59 -51.08 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.701 179.834 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.681 ' CE1' HD12 ' C' ' 330' ' ' LEU . 5.9 t80 -60.78 -42.41 97.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.73 -32.3 65.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.422 179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.7 mtm -67.21 -62.08 1.6 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.011 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.447 ' CE2' ' HG3' ' D' ' 337' ' ' ARG . 9.5 m-85 -59.25 -27.33 65.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.934 179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -68.85 -35.87 77.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.003 0.43 . . . . 0.0 109.969 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.45 -31.09 47.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.185 179.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.847 ' CD2' HD11 ' A' ' 344' ' ' LEU . 98.0 mt -73.24 -31.42 64.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.497 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -73.74 -45.65 50.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.622 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -70.87 -30.15 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.73 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.56 -32.11 60.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.4 -36.51 68.69 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.776 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 56.6 tt0 -67.22 -31.41 71.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 351' ' ' LYS . 2.5 mt -65.77 -37.69 87.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -64.21 -36.58 84.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -34.68 77.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.76 -32.28 73.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.084 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm100 -92.17 -31.72 15.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.99 -56.89 16.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.351 -1.25 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.791 0.329 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 61.59 114.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.424 ' CD2' ' N ' ' A' ' 328' ' ' PHE . 4.7 m-85 -132.44 110.83 10.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -66.07 141.09 58.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.705 HD23 HD11 ' A' ' 332' ' ' ILE . 20.7 tp -139.51 98.64 3.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.432 ' HD3' ' CD2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -84.47 100.89 11.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.705 HD11 HD23 ' A' ' 330' ' ' LEU . 2.9 mp -99.76 153.32 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.408 ' HB2' ' CE2' ' B' ' 327' ' ' TYR . 6.7 ttt85 -113.18 123.22 49.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 110.91 144.14 9.76 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.461 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.01 -29.94 60.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 31.2 mp0 -76.75 -46.54 24.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.624 ' HD2' HD12 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.98 -52.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.633 179.781 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' B' ' 330' ' ' LEU . 4.5 t80 -62.38 -40.94 98.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.017 179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -57.48 -32.9 67.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.416 179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.14 -61.67 1.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.055 179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.527 ' HA ' HD12 ' A' ' 344' ' ' LEU . 6.9 m-85 -60.9 -26.99 67.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 10.3 ttt-85 -69.86 -34.53 73.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.969 0.414 . . . . 0.0 110.016 179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.5 -32.74 42.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.194 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.552 ' CD2' HD22 ' D' ' 344' ' ' LEU . 6.6 mt -73.98 -30.76 62.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.495 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.553 ' ND2' HG23 ' B' ' 332' ' ' ILE . 59.2 t-20 -73.37 -44.6 58.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.579 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.58 -34.06 73.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.667 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.442 ' HA ' HD12 ' A' ' 350' ' ' LEU . . . -72.32 -32.04 66.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.8 -38.9 76.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.701 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -62.54 -31.37 72.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 347' ' ' ALA . 17.7 mt -64.9 -45.16 87.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -59.93 -32.35 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.24 -35.8 76.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.09 -33.51 67.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -75.31 -37.68 60.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.85 -49.39 25.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.03 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.483 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.432 ' CD2' ' HD3' ' A' ' 331' ' ' LYS . 6.5 m-85 63.27 127.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -135.82 127.43 28.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 331' ' ' LYS . 1.1 m-85 -81.63 145.3 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 338' ' ' PHE . 16.4 tp -139.94 102.13 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.1 mtmm -82.55 98.63 9.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.68 HD11 HD23 ' B' ' 330' ' ' LEU . 3.6 mp -101.26 131.04 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -88.79 74.25 8.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -176.36 128.35 1.35 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.463 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.87 -33.54 62.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -76.81 -50.81 12.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 5.3 ttm180 -56.09 -44.06 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.688 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' B' ' 342' ' ' ARG . 39.4 t80 -62.03 -47.86 82.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.283 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.26 -33.24 63.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.619 179.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.9 ttm -66.03 -57.91 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.272 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.36 -33.75 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.745 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.438 ' HG3' ' CZ ' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -67.67 -39.37 84.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.995 0.426 . . . . 0.0 110.059 179.371 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.2 -29.35 48.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.171 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.786 ' CD1' HD21 ' C' ' 344' ' ' LEU . 1.0 OUTLIER -75.39 -32.35 60.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.594 179.59 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -73.77 -42.26 61.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.667 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.5 -31.3 68.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.803 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.403 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.2 -36.76 61.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.038 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.624 HD12 ' HD2' ' A' ' 337' ' ' ARG . 12.2 mt -74.74 -24.85 58.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -79.35 -26.22 42.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.636 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.38 -43.55 40.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.773 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -28.02 66.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.776 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.43 -30.92 67.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.777 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -64.27 -33.45 75.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -72.27 -33.2 67.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -79.57 -59.32 2.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.508 179.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.87 0.367 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER 60.89 111.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.434 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 5.2 m-85 -119.91 147.17 45.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.94 145.27 32.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.689 HD13 ' CZ ' ' D' ' 338' ' ' PHE . 9.5 tp -149.18 106.47 3.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.27 85.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.443 HG21 ' HA ' ' C' ' 338' ' ' PHE . 33.7 mm -67.92 123.1 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 91.72 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 144.9 131.4 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.45 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.0 ptp180 -66.15 -42.91 88.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.31 . . . . 0.0 110.878 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -70.63 -51.43 28.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.846 ' HG2' HD22 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -55.91 -44.9 78.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.895 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -64.17 -48.38 76.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.972 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -54.91 -30.9 59.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.404 179.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 39.1 ttm -66.58 -60.39 2.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.271 179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.484 ' CZ ' ' HG3' ' C' ' 337' ' ' ARG . 1.7 m-30 -59.85 -30.29 68.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.608 179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -43.26 70.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.367 179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -73.36 -32.07 64.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.288 179.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.786 HD21 ' CD1' ' B' ' 344' ' ' LEU . 4.0 mt -71.51 -31.63 67.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.461 179.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -69.84 -47.44 62.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -69.16 -32.63 72.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.564 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.06 -31.37 66.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.845 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.86 -42.39 73.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.652 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.39 -28.09 69.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.909 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -43.34 80.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' B' ' 347' ' ' ALA . 27.0 mttt -60.23 -40.92 91.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -61.99 -31.49 71.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.956 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.65 -37.16 73.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.131 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -82.51 -37.55 25.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.62 -54.96 11.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.506 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 60.71 111.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -130.94 135.25 47.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.96 138.95 42.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.895 HD13 ' CE1' ' C' ' 338' ' ' PHE . 21.3 tp -141.36 109.09 5.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -98.91 111.28 23.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -110.72 124.17 67.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -84.02 71.38 10.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.92 129.88 1.5 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -31.82 59.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.007 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.13 -56.74 4.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.475 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 1.4 tpp180 -57.0 -37.59 71.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.772 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.689 ' CZ ' HD13 ' C' ' 330' ' ' LEU . 8.5 t80 -66.61 -45.53 78.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.215 179.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.03 -32.85 62.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.543 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 6.2 ttm -67.15 -61.68 1.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.011 179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.475 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 5.6 m-85 -60.98 -27.95 68.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.742 179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.678 ' HA ' HD21 ' C' ' 330' ' ' LEU . 0.4 OUTLIER -68.95 -33.67 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.989 0.423 . . . . 0.0 110.031 179.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.07 -34.81 59.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.353 179.411 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.552 HD22 ' CD2' ' A' ' 344' ' ' LEU . 76.1 mt -71.22 -36.8 71.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.422 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 54.3 t30 -66.75 -42.25 86.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.455 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -67.73 -45.19 75.74 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.582 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -66.87 -29.1 68.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.734 179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.846 HD22 ' HG2' ' C' ' 337' ' ' ARG . 13.1 tp -68.39 -38.42 81.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.768 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -60.73 -31.18 70.49 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.847 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.5 mp -67.03 -42.59 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -59.49 -32.05 69.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -68.69 -31.39 70.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.42 -36.94 66.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.079 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -83.64 -37.42 22.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -72.31 -35.18 68.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 327' ' ' TYR . 5.6 mm-40 . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.421 ' CE1' ' HB2' ' B' ' 333' ' ' ARG . 6.4 m-85 -171.17 105.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -100.66 87.8 3.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -61.43 152.87 28.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.603 HD13 ' CE1' ' B' ' 338' ' ' PHE . 10.5 tp -156.25 119.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.03 118.77 26.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 28.4 mm -102.38 123.3 55.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.435 ' HG3' ' CE2' ' B' ' 327' ' ' TYR . 0.0 OUTLIER -95.59 42.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.53 117.7 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.8 -35.55 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 110.898 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -76.42 -51.39 11.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -56.26 -42.14 76.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.714 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -62.4 -48.59 79.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.272 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -54.69 -32.93 60.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.699 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 15.1 ttm -66.73 -57.08 7.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.46 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -62.07 -31.69 72.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.631 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -68.43 -37.71 80.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.201 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.36 -31.26 48.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.224 179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.751 HD21 ' CD2' ' D' ' 344' ' ' LEU . 0.4 OUTLIER -74.67 -31.2 61.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.531 179.57 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -73.76 -43.32 59.36 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.7 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.59 ' O ' HD12 ' A' ' 350' ' ' LEU . 4.6 tt0 -71.92 -33.98 68.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.63 179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.4 60.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.726 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -73.4 -32.15 64.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.707 179.805 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -67.96 -30.93 70.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.59 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.8 OUTLIER -65.77 -44.85 84.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -59.68 -30.68 68.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -63.68 -39.18 93.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.06 -32.94 72.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -81.23 -39.49 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -70.72 -38.12 73.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.107 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.43 -1.206 . . . . 0.0 112.472 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.867 0.365 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.435 ' CE2' ' HG3' ' A' ' 333' ' ' ARG . 19.4 m-85 -95.57 135.02 37.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.441 ' CD2' ' N ' ' B' ' 328' ' ' PHE . 3.4 m-85 -112.15 99.34 7.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -59.5 138.22 57.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 9.1 tp -142.08 132.17 24.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -96.49 121.78 38.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.69 105.89 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.421 ' HB2' ' CE1' ' A' ' 327' ' ' TYR . 5.8 ttp85 -92.37 48.87 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -152.85 117.03 0.78 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.456 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -59.7 -40.02 86.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.818 0.342 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.83 -52.8 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.664 ' HG3' HD13 ' A' ' 348' ' ' LEU . 1.0 OUTLIER -56.44 -44.6 80.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.808 179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' A' ' 330' ' ' LEU . 8.2 t80 -62.2 -44.59 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.272 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -55.1 -34.17 63.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.528 179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.485 ' O ' HD12 ' B' ' 344' ' ' LEU . 4.0 ttp -66.66 -60.95 2.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.104 179.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.455 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 4.8 m-85 -61.54 -27.82 68.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.808 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -70.96 -33.63 70.64 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.925 0.393 . . . . 0.0 110.121 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -80.65 -31.77 36.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.265 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.833 ' O ' HD23 ' B' ' 348' ' ' LEU . 2.4 mp -75.89 -31.86 59.41 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.513 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -74.37 -41.38 61.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.619 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.491 ' O ' HD12 ' B' ' 350' ' ' LEU . 1.6 mm-40 -70.47 -33.97 71.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -70.98 -34.07 71.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.956 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.833 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.5 mm? -69.1 -40.06 78.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.739 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -63.32 -31.17 72.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.491 HD12 ' O ' ' B' ' 346' ' ' GLU . 0.7 OUTLIER -65.37 -42.46 92.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -59.29 -33.53 71.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -60.78 -36.48 79.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.75 -31.24 63.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 1.1 mm100 -75.75 -32.46 59.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.899 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -84.67 -34.89 22.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.508 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.847 0.356 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -113.94 153.95 28.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -147.24 109.91 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.443 ' CE1' ' CG ' ' D' ' 331' ' ' LYS . 15.5 m-85 -70.67 153.3 42.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.941 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 16.4 tp -156.24 100.71 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 8.9 pttm -83.07 120.59 25.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.511 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.3 mt -117.95 137.18 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.09 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.424 ' CG ' ' CZ ' ' D' ' 327' ' ' TYR . 0.1 OUTLIER -98.68 31.3 2.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.511 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -134.28 118.67 2.06 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.529 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -61.2 -41.77 97.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -74.3 -44.39 52.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.618 ' HG3' HD13 ' D' ' 348' ' ' LEU . 3.0 ttm180 -57.82 -47.66 81.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.715 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.705 ' CE1' HD13 ' D' ' 330' ' ' LEU . 10.6 t80 -60.14 -46.34 89.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.405 179.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -55.74 -33.77 64.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.623 179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 7.7 mtp -66.66 -57.65 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.382 179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.416 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 2.3 m-85 -62.83 -30.45 71.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.772 179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt-85 -70.75 -36.2 73.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.224 179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -78.95 -34.28 44.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.161 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.778 HD11 ' CD2' ' B' ' 344' ' ' LEU . 0.8 OUTLIER -72.59 -29.92 63.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.287 179.394 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -72.22 -47.64 48.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.637 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.95 -30.76 71.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.809 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.749 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -70.13 -39.24 75.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.017 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.778 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.7 mm? -65.47 -38.64 90.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -68.74 -30.61 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.454 HD22 ' HA ' ' C' ' 350' ' ' LEU . 0.2 OUTLIER -68.75 -37.53 79.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -68.35 -35.77 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.08 -33.18 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -70.67 -31.2 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.064 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.9 mm100 -76.59 -44.77 33.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.92 -54.63 12.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.465 179.969 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.812 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.424 ' CZ ' ' CG ' ' C' ' 333' ' ' ARG . 13.2 m-85 -140.09 152.54 46.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -146.56 88.44 1.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -63.35 130.47 44.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.705 HD13 ' CE1' ' C' ' 338' ' ' PHE . 14.8 tp -131.02 129.66 42.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.443 ' CG ' ' CE1' ' C' ' 329' ' ' PHE . 21.2 mtmt -98.03 101.79 13.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.541 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.9 mp -88.79 122.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.104 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -94.51 44.54 1.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -158.25 131.0 2.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 5.8 ptp85 -71.1 -34.07 70.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.83 0.348 . . . . 0.0 110.965 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -75.96 -53.63 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -56.4 -38.99 72.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.625 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -63.55 -48.35 77.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.349 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.56 -33.41 60.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.703 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 8.6 ttm -66.36 -57.96 6.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.352 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.416 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.3 m-85 -61.32 -31.67 71.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.801 179.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 17.7 ttp180 -68.36 -35.57 77.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.194 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -80.65 -30.82 36.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.214 179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.751 ' CD2' HD21 ' A' ' 344' ' ' LEU . 0.5 OUTLIER -76.86 -30.19 56.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.557 179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -77.03 -41.25 43.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.652 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.45 -30.58 60.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.66 179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.66 -30.76 46.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.618 HD13 ' HG3' ' C' ' 337' ' ' ARG . 10.7 mt -76.8 -31.76 57.19 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.719 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -72.02 -29.28 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.741 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' D' ' 350' ' ' LEU . 0.2 OUTLIER -67.23 -35.62 79.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 179.89 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.41 -40.8 93.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -60.42 -34.57 74.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.15 -31.23 62.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -80.39 -38.14 30.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.09 -39.77 87.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.101 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.483 179.996 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.772 0.32 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -164.99 153.07 11.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -146.32 103.64 3.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -78.81 130.83 36.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.707 HD12 ' CE2' ' B' ' 338' ' ' PHE . 5.2 tt -137.22 153.05 50.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.644 ' N ' HD23 ' A' ' 330' ' ' LEU . 0.0 OUTLIER -129.03 115.66 18.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.975 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.7 mp -98.45 153.29 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -114.91 41.17 2.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -155.97 138.46 6.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.53 -32.61 60.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.57 -45.85 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.801 ' HD3' HD13 ' B' ' 348' ' ' LEU . 0.0 OUTLIER -58.09 -49.98 75.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.715 179.815 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.654 ' CE1' HD13 ' B' ' 330' ' ' LEU . 7.4 t80 -61.1 -43.72 98.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.214 179.54 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -56.59 -32.68 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.377 179.529 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 26.4 ttm -67.42 -61.66 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.095 179.301 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 337' ' ' ARG . 5.3 m-85 -60.41 -26.61 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.759 179.476 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -69.96 -35.04 74.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 179.398 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -80.17 -31.87 38.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.306 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.753 ' CD2' HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.17 -30.21 54.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.595 179.596 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -76.42 -38.72 55.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.68 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.699 ' O ' HD23 ' A' ' 350' ' ' LEU . 1.0 OUTLIER -74.3 -33.79 63.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.779 179.812 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.55 -31.53 57.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.842 HD13 ' HG3' ' B' ' 337' ' ' ARG . 9.3 mt -75.45 -30.79 60.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.78 179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -71.48 -31.06 66.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.812 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.699 HD23 ' O ' ' A' ' 346' ' ' GLU . 3.7 mm? -67.14 -38.23 85.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -60.19 -38.4 83.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -65.2 -31.58 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -65.48 -37.1 85.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.052 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -75.98 -31.76 59.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -71.16 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.465 -179.975 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.811 0.339 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.411 ' CD1' ' HD3' ' A' ' 331' ' ' LYS . 54.9 m-85 -122.81 152.64 40.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.893 179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -144.12 97.65 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 331' ' ' LYS . 3.6 m-85 -69.2 153.1 44.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.654 HD13 ' CE1' ' A' ' 338' ' ' PHE . 10.4 tp -164.95 118.22 1.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 17.3 tttt -89.24 111.03 21.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.554 HD11 HD23 ' B' ' 330' ' ' LEU . 25.6 mm -92.67 125.08 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.67 31.32 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -137.47 121.62 2.32 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 23.0 ttm180 -60.17 -51.69 68.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.789 0.328 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.8 -39.88 79.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.842 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -58.25 -49.99 75.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.71 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.707 ' CE2' HD12 ' A' ' 330' ' ' LEU . 11.9 t80 -59.59 -47.35 85.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.325 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -55.59 -32.04 62.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.576 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -67.52 -58.67 4.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.297 179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.466 ' HA ' HD12 ' B' ' 344' ' ' LEU . 3.2 m-85 -61.52 -29.27 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.671 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.95 -36.28 77.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.249 179.435 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -79.37 -32.28 43.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.263 179.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.925 HD22 HD11 ' C' ' 344' ' ' LEU . 7.2 mt -76.31 -29.3 57.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.536 179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -75.74 -40.77 54.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.731 179.805 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.476 ' O ' HD23 ' B' ' 350' ' ' LEU . 2.4 mt-10 -72.73 -33.22 66.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.727 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.495 ' HB2' ' HE3' ' C' ' 351' ' ' LYS . . . -75.82 -32.64 59.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.89 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.801 HD13 ' HD3' ' A' ' 337' ' ' ARG . 1.7 mt -73.69 -31.38 63.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.797 179.824 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -69.77 -31.13 68.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.836 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.476 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.5 mm? -70.9 -47.0 61.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.506 ' HD3' HD23 ' B' ' 348' ' ' LEU . 13.9 ptmm? -67.66 -31.49 71.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -31.57 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.64 -30.91 61.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.089 -179.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -73.92 -33.47 63.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -130.89 84.73 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.478 179.976 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.837 0.351 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.76 147.96 52.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.426 ' CD2' ' N ' ' C' ' 328' ' ' PHE . 4.1 m-85 -141.93 88.08 2.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HG2' ' D' ' 331' ' ' LYS . 26.8 m-85 -59.46 153.02 20.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.451 HD12 ' CE1' ' D' ' 338' ' ' PHE . 7.8 tt -151.99 119.85 6.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.423 ' HE3' ' CD2' ' D' ' 327' ' ' TYR . 15.8 tttp -83.64 137.61 33.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.564 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mp -133.24 127.12 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.427 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.8 ptp85 -98.53 30.63 3.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.564 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -142.61 123.28 2.12 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.804 0.335 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -74.8 -48.83 23.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' D' ' 348' ' ' LEU . 15.3 mtm180 -56.17 -47.34 78.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.757 179.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.444 ' CE1' ' HD3' ' C' ' 342' ' ' ARG . 12.1 t80 -59.62 -45.8 90.87 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.413 179.634 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' C' ' 342' ' ' ARG . 3.6 mt-10 -56.44 -29.78 62.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -76.16 -49.46 17.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.974 0.416 . . . . 0.0 110.1 179.439 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' C' ' 337' ' ' ARG . 1.9 m-85 -67.18 -30.67 70.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.112 179.811 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . 0.444 ' HD3' ' CE1' ' C' ' 338' ' ' PHE . 17.1 ptt180 -73.97 -34.35 64.2 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.94 0.4 . . . . 0.0 110.12 179.563 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.22 -36.63 46.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.253 179.31 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.925 HD11 HD22 ' B' ' 344' ' ' LEU . 0.1 OUTLIER -70.01 -29.72 66.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.317 179.42 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -71.82 -49.41 38.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.647 179.704 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -66.0 -30.28 70.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.791 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.53 -34.6 70.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.038 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.79 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.6 mm? -70.84 -36.6 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.779 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -66.9 -31.3 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.86 179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' B' ' 351' ' ' LYS . 3.8 mt -67.98 -44.65 76.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.61 ' O ' ' HB3' ' C' ' 355' ' ' ALA . 14.8 mttm -60.26 -31.36 70.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.26 -32.11 71.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.09 -31.7 72.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -118.24 31.54 6.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' C' ' 351' ' ' LYS . . . -175.21 36.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.517 179.97 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.81 0.338 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' C' ' 333' ' ' ARG . 47.2 m-85 -154.85 152.05 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -143.33 98.42 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -60.47 152.94 24.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.467 HD23 HD11 ' D' ' 332' ' ' ILE . 31.8 tp -138.99 149.72 45.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.421 ' HG2' ' CZ ' ' C' ' 329' ' ' PHE . 19.6 mttt -118.17 83.88 2.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.467 HD11 HD23 ' D' ' 330' ' ' LEU . 3.1 mt -86.76 113.6 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.83 39.42 1.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -141.26 123.69 2.35 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.509 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -60.06 -48.54 81.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.816 0.341 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.15 -44.98 64.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . . . . . . . . . 14.3 mtm180 -57.61 -43.54 84.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.671 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.451 ' CE1' HD12 ' C' ' 330' ' ' LEU . 13.9 t80 -60.16 -48.81 80.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.51 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.31 -34.12 60.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.629 179.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 2.0 tpp -66.72 -58.4 5.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.312 179.449 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -62.36 -29.78 70.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.817 179.686 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -71.43 -36.01 71.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.991 0.424 . . . . 0.0 110.149 179.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -80.06 -30.88 39.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.241 179.333 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.753 HD21 ' CD2' ' A' ' 344' ' ' LEU . 0.4 OUTLIER -76.39 -30.1 57.36 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.565 179.601 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 56.8 t-20 -76.51 -41.03 48.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.754 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.41 ' O ' HD12 ' D' ' 350' ' ' LEU . 16.4 tt0 -74.2 -30.25 62.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.741 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.24 -33.96 43.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.98 179.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' C' ' 337' ' ' ARG . 4.7 mt -77.43 -27.38 52.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.778 179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.47 -29.5 56.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.79 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.41 HD12 ' O ' ' D' ' 346' ' ' GLU . 1.7 mt -71.78 -37.96 70.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.666 ' HD3' HD23 ' D' ' 348' ' ' LEU . 1.4 ptmm? -71.75 -31.1 66.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -72.3 -31.49 65.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.71 -33.35 73.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -68.29 -32.12 72.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -91.71 -56.88 2.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.446 179.959 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.832 0.348 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 63.27 141.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -155.46 113.52 3.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.75 137.17 47.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.729 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.0 tp -139.08 123.08 17.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -99.55 84.81 3.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.619 HD11 HD23 ' A' ' 330' ' ' LEU . 3.9 mp -85.24 109.76 18.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.989 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.7 ttp180 -82.36 72.64 9.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.48 134.31 2.66 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -75.0 -39.95 60.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -74.05 -47.89 33.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.775 ' CG ' HD13 ' B' ' 348' ' ' LEU . 14.1 mtm180 -56.78 -44.64 82.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.755 179.924 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -60.79 -47.43 86.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.389 179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.98 -33.35 62.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.65 179.732 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.534 ' O ' HD12 ' A' ' 344' ' ' LEU . 4.9 mtp -67.01 -58.69 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.32 179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.433 ' HE1' HD23 ' B' ' 344' ' ' LEU . 3.0 m-85 -61.06 -28.9 69.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 179.69 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -36.25 75.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.942 0.401 . . . . 0.0 110.266 179.446 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -79.09 -32.23 44.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.272 179.382 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.826 ' O ' HD23 ' A' ' 348' ' ' LEU . 1.5 mp -74.99 -30.64 61.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.535 179.493 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . 0.491 ' OD1' HG23 ' B' ' 332' ' ' ILE . 6.8 t30 -74.14 -42.65 59.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 179.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -71.13 -32.0 68.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.779 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.8 -31.15 63.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.826 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.3 mm? -72.59 -38.81 67.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.776 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -68.01 -32.38 72.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 179.903 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.44 -37.78 74.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.869 179.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -64.67 -31.67 72.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.859 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.13 -36.07 82.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.17 -31.12 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -82.9 -34.23 26.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.04 -35.71 75.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.522 -179.999 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.821 0.343 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 37.1 m-85 60.27 89.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -106.78 102.32 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -71.97 151.87 42.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 27.2 tp -160.4 128.4 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -105.15 103.91 13.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.491 HG23 ' OD1' ' A' ' 345' ' ' ASN . 27.9 mm -86.14 140.99 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -98.52 33.58 2.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.09 118.62 1.32 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.421 179.998 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -61.36 -38.22 86.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -76.03 -49.91 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -56.54 -43.22 79.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.677 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.729 ' CE1' HD13 ' A' ' 330' ' ' LEU . 11.7 t80 -61.72 -48.56 80.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.291 179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -54.11 -33.64 58.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.638 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 3.3 mtp -66.68 -58.2 5.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.327 179.525 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -59.53 -29.74 68.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.674 179.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -44.08 78.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.124 179.359 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.97 -24.35 52.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.258 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.615 ' O ' HD12 ' B' ' 348' ' ' LEU . 1.2 tp -78.54 -32.11 47.75 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.777 179.704 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -40.74 57.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.881 0.372 . . . . 0.0 110.573 179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.454 ' O ' HD23 ' B' ' 350' ' ' LEU . 29.8 tt0 -73.43 -33.45 64.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.713 179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.89 -32.4 59.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.775 HD13 ' CG ' ' A' ' 337' ' ' ARG . 3.0 mt -73.25 -32.46 64.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.647 179.854 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -68.15 -31.09 70.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 179.817 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.454 HD23 ' O ' ' B' ' 346' ' ' GLU . 3.0 mm? -67.8 -46.51 71.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -60.86 -34.47 74.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.953 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.44 -31.61 71.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.1 -31.4 44.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.094 -179.979 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -88.22 -31.46 19.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.95 33.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.1 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.519 179.987 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.827 0.346 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -93.62 99.92 12.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.8 150.82 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -122.2 133.21 54.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.721 HD23 ' N ' ' C' ' 331' ' ' LYS . 5.3 tt -146.21 132.95 19.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.721 ' N ' HD23 ' C' ' 330' ' ' LEU . 18.7 tttt -106.78 119.75 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -103.78 144.33 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -107.05 37.43 2.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -142.75 134.49 6.04 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.491 -179.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -70.47 -47.32 61.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -73.57 -44.81 56.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.758 ' HD3' HD13 ' D' ' 348' ' ' LEU . 26.3 ttp180 -57.95 -50.0 74.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.534 ' CE1' HD13 ' D' ' 330' ' ' LEU . 8.9 t80 -62.71 -46.44 88.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.989 179.338 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.28 -30.88 63.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.451 179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 11.4 ttm -67.39 -59.58 3.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.314 179.547 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.471 ' CE1' ' HG2' ' C' ' 337' ' ' ARG . 1.5 m-85 -61.97 -28.96 69.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.71 179.634 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -71.21 -37.87 72.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.436 179.554 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -77.54 -32.75 54.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.398 179.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.664 ' O ' HD12 ' C' ' 348' ' ' LEU . 60.8 mt -75.04 -29.35 60.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.592 179.585 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.633 ' OD1' HG23 ' D' ' 332' ' ' ILE . 12.4 t30 -74.48 -42.1 59.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.725 179.779 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -72.27 -31.94 66.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.764 179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.14 -30.54 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.937 179.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.664 HD12 ' O ' ' C' ' 344' ' ' LEU . 3.9 mt -74.11 -36.54 64.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.853 179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.21 -30.16 68.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.21 -37.48 80.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -31.41 71.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.52 -33.41 71.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.4 -34.09 77.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -81.96 -32.38 30.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.29 -69.61 0.7 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.108 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.498 179.971 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . 0.429 ' HB3' ' CZ ' ' D' ' 328' ' ' PHE . 1.5 mp0 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.838 0.351 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -83.91 152.6 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' D' ' 326' ' ' GLU . 33.7 m-85 -144.73 127.04 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.42 121.89 37.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.817 -179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.534 HD13 ' CE1' ' C' ' 338' ' ' PHE . 12.8 tp -118.5 151.53 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -130.66 83.91 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.633 HG23 ' OD1' ' C' ' 345' ' ' ASN . 3.8 mp -78.01 131.54 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 -179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 7.8 ptt180 -99.13 31.6 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.544 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -138.68 132.01 5.58 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.479 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.9 ptp85 -76.21 -40.56 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.771 0.32 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -67.65 -55.6 12.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.543 ' HG3' HG21 ' D' ' 332' ' ' ILE . 18.4 ptp180 -55.55 -46.7 77.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.755 179.871 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.496 ' CE1' HD12 ' C' ' 330' ' ' LEU . 4.3 t80 -59.37 -40.1 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.389 179.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.05 -40.87 77.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.69 179.844 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 32.8 mtm -63.13 -55.15 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.379 179.646 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' C' ' 341' ' ' PHE . 3.2 m-85 -59.22 -32.26 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.781 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -64.31 -39.65 94.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.261 179.538 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.95 -31.3 56.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.208 179.321 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.814 HD11 HD21 ' A' ' 344' ' ' LEU . 0.3 OUTLIER -74.18 -32.89 63.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.45 179.542 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -71.06 -43.2 68.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.738 179.834 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -73.71 -31.96 63.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.678 179.788 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.18 -29.39 48.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.992 179.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.847 HD23 ' HE3' ' D' ' 351' ' ' LYS . 3.0 mt -77.73 -30.19 51.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -77.4 -33.03 55.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.81 179.885 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 2.4 mt -77.48 -36.9 52.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.776 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.847 ' HE3' HD23 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -76.38 -28.31 56.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.755 179.847 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -77.39 -30.41 53.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.99 -30.78 64.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 -69.96 -36.49 75.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -69.15 -31.36 69.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.082 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.386 -1.23 . . . . 0.0 112.545 179.972 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.786 0.327 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 60.67 111.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.443 ' N ' ' CD1' ' A' ' 328' ' ' PHE . 4.1 m-85 -117.47 95.71 5.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -60.05 151.52 26.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 12.9 tp -166.18 129.45 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.94 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.418 ' C ' HD12 ' A' ' 332' ' ' ILE . 1.6 mptt -97.68 152.98 18.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.535 HG23 ' HD2' ' A' ' 337' ' ' ARG . 3.7 mp -142.76 132.9 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.108 -179.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 19.2 mtm180 -98.62 33.02 2.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.463 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -136.84 124.86 3.24 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.438 -179.993 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -34.7 78.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -80.38 -47.27 14.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.81 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.535 ' HD2' HG23 ' A' ' 332' ' ' ILE . 30.5 ttm180 -58.05 -50.56 73.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.544 179.758 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -63.3 -43.99 96.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.998 179.326 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -57.9 -31.29 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.452 179.482 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -67.94 -59.68 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.322 179.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.482 ' CE1' ' HG2' ' A' ' 337' ' ' ARG . 1.6 m-85 -63.78 -26.97 68.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.665 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.84 -37.71 62.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.378 179.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -78.49 -33.25 48.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.256 179.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.903 HD11 HD23 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -75.62 -30.64 59.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.441 179.53 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 -73.32 -40.69 64.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.3 -31.93 69.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.662 179.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.04 -36.44 72.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.971 179.922 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.7 mm? -68.44 -39.99 81.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.887 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.54 -30.67 70.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 179.881 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.73 -42.84 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -65.93 -31.49 72.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.54 -32.67 71.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.88 -31.45 61.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.75 -34.85 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.33 -36.24 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.492 179.99 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.863 0.363 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 62.51 147.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -154.87 108.4 2.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.4 ' CE1' ' HG2' ' A' ' 331' ' ' LYS . 20.1 m-85 -82.65 151.4 26.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 11.1 tp -156.19 151.77 27.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.956 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -120.47 108.97 14.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.49 101.03 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -30.47 71.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.67 127.29 7.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . 0.413 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 30.7 ttt85 -71.01 -36.1 72.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -71.26 -46.71 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 3.8 ttm180 -57.23 -42.6 81.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.779 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 328' ' ' PHE . 12.9 t80 -60.69 -48.27 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.466 179.656 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -53.91 -34.39 59.42 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.675 179.719 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -58.76 4.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.282 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 5.1 m-85 -59.08 -30.1 67.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.853 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.423 ' HD3' ' CE2' ' B' ' 338' ' ' PHE . 5.1 tpt85 -66.56 -35.96 81.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.952 0.406 . . . . 0.0 110.19 179.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -78.42 -30.04 47.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.026 179.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.57 HD23 HD21 ' C' ' 344' ' ' LEU . 0.1 OUTLIER -74.35 -39.34 62.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.518 179.529 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -69.29 -38.32 78.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.718 179.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -72.32 -38.16 68.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.813 179.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -73.03 -30.81 64.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.0 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.495 ' CD1' HD12 ' B' ' 344' ' ' LEU . 12.1 mt -73.82 -32.48 63.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.771 179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -68.6 -31.79 71.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -70.3 -34.24 72.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 32.6 mttt -65.26 -35.87 82.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.19 -35.27 76.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.8 -31.2 66.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -82.64 -41.44 19.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.23 -61.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.462 -179.964 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.828 0.346 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . 0.407 ' CD2' ' HB3' ' D' ' 333' ' ' ARG . 20.5 m-85 -96.11 151.61 19.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -135.61 105.46 6.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.416 ' CZ ' ' HG3' ' D' ' 331' ' ' LYS . 29.6 m-85 -69.95 122.48 19.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.672 HD13 ' CE1' ' D' ' 338' ' ' PHE . 9.0 tp -122.68 108.17 12.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 84.13 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.63 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.7 mp -74.0 135.2 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.184 -179.997 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -98.54 33.68 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.443 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -135.34 125.74 3.76 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.537 179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -65.19 -47.26 77.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -73.16 -43.78 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.661 ' CG ' HD13 ' D' ' 348' ' ' LEU . 10.2 mtm180 -57.76 -46.82 83.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.715 179.857 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.435 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 11.4 t80 -59.96 -47.71 84.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.423 179.664 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -55.22 -32.88 62.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.659 179.707 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.427 ' O ' HD12 ' C' ' 344' ' ' LEU . 6.3 ttm -66.95 -58.09 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.374 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.452 ' CD2' ' CD1' ' D' ' 341' ' ' PHE . 3.0 m-85 -61.97 -30.45 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.763 179.666 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -35.65 76.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.235 179.433 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -80.39 -31.97 37.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.191 179.296 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.721 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.0 OUTLIER -76.66 -31.82 57.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.39 179.506 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -74.27 -40.78 62.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.55 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.476 ' O ' HD12 ' C' ' 350' ' ' LEU . 1.2 tp10 -72.37 -36.62 68.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.571 179.742 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.99 -31.16 65.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 179.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.838 HD13 ' HG3' ' D' ' 337' ' ' ARG . 0.5 OUTLIER -71.23 -38.03 72.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.62 179.842 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.66 -30.55 70.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.789 179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.476 HD12 ' O ' ' C' ' 346' ' ' GLU . 0.5 OUTLIER -66.62 -38.33 86.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -33.14 71.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -71.88 -42.73 66.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.45 -31.22 66.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -77.1 -31.49 55.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -98.63 32.82 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.521 179.983 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 40.6 m-85 60.59 111.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 21.5 m-85 -127.25 114.67 17.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.999 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -72.76 142.17 48.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' C' ' 338' ' ' PHE . 14.0 tp -144.32 102.2 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.416 ' HG3' ' CZ ' ' C' ' 329' ' ' PHE . 24.9 tttt -78.1 83.95 4.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.542 HD13 ' HD2' ' D' ' 341' ' ' PHE . 4.4 mt -79.91 120.65 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . 0.407 ' HB3' ' CD2' ' C' ' 327' ' ' TYR . 7.5 ptt180 -96.38 74.67 2.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.5 134.27 2.64 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -50.59 26.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.852 0.358 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.56 -40.88 73.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.838 ' HG3' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -58.38 -49.55 76.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.727 179.878 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.672 ' CE1' HD13 ' C' ' 330' ' ' LEU . 10.9 t80 -59.7 -46.88 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.373 179.618 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -55.55 -32.55 63.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.538 179.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.437 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.3 ttp -67.19 -59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.247 179.48 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.542 ' HD2' HD13 ' D' ' 332' ' ' ILE . 3.7 m-85 -60.61 -29.14 69.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.855 179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -34.52 75.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.962 0.41 . . . . 0.0 110.253 179.458 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -80.68 -30.86 36.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.301 179.34 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.903 HD23 HD11 ' A' ' 344' ' ' LEU . 2.9 mp -77.73 -31.96 52.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.597 179.609 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.63 ' OD1' HG23 ' C' ' 332' ' ' ILE . 1.4 t30 -76.59 -38.14 55.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.696 179.798 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.99 -31.24 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.799 179.833 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.58 -32.15 53.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.993 179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.661 HD13 ' CG ' ' C' ' 337' ' ' ARG . 6.9 mt -75.74 -31.88 59.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.752 179.839 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -71.71 -30.06 65.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.76 179.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.61 -36.55 81.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 26.4 mtpt -68.53 -31.53 70.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.954 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.52 -31.67 65.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.13 -39.45 71.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.93 -31.37 40.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.1 31.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.369 -1.24 . . . . 0.0 112.505 179.957 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.796 0.332 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.423 ' CE1' ' HG2' ' B' ' 333' ' ' ARG . 19.3 m-85 -130.5 144.88 51.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -152.91 113.93 4.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.407 ' CE2' ' HG3' ' B' ' 331' ' ' LYS . 63.7 m-85 -74.42 144.4 44.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.651 HD13 ' CE1' ' B' ' 338' ' ' PHE . 13.5 tp -136.23 119.54 16.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -101.99 102.26 12.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.58 HD12 ' HE1' ' A' ' 341' ' ' PHE . 28.0 mm -89.41 135.45 26.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.74 36.73 2.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.449 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -151.82 144.98 12.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.484 179.997 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.12 -65.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.782 0.325 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -58.82 -36.46 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.506 ' HG3' ' CE1' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -60.51 -53.67 54.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.532 179.703 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.432 ' CE1' HD13 ' B' ' 330' ' ' LEU . 8.0 t80 -62.61 -45.67 91.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.867 179.252 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -56.8 -30.86 64.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.315 179.292 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . 0.53 ' HE3' ' HE2' ' A' ' 341' ' ' PHE . 3.0 tmm? -67.38 -61.2 2.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.134 179.421 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' A' ' 332' ' ' ILE . 2.7 m-85 -60.73 -27.78 68.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.576 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.92 -37.78 72.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 110.372 179.608 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -78.23 -31.54 49.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.34 179.482 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.646 ' O ' HD12 ' A' ' 348' ' ' LEU . 2.3 mp -76.64 -32.84 58.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.482 179.581 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -75.23 -39.68 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.676 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -73.98 -31.74 63.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.657 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.449 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -74.96 -31.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.985 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.757 HD13 ' HG3' ' B' ' 337' ' ' ARG . 0.9 OUTLIER -74.02 -37.69 64.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.773 179.848 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -68.69 -31.21 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 6.1 mt -66.92 -35.47 80.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -60.68 -35.68 76.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -64.88 -33.49 76.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.71 -31.43 59.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.104 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 2.2 mm100 -76.39 -31.66 58.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.13 33.67 2.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.482 179.991 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.82 0.343 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 61.64 153.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -150.27 94.74 2.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -60.35 152.57 24.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.512 HD23 HD11 ' B' ' 332' ' ' ILE . 13.6 tp -156.37 115.52 3.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.407 ' HG3' ' CE2' ' A' ' 329' ' ' PHE . 8.7 ttmt -93.67 102.98 15.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.512 HD11 HD23 ' B' ' 330' ' ' LEU . 3.7 mp -100.59 140.4 19.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' A' ' 327' ' ' TYR . 45.5 mtp180 -105.94 72.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -173.62 134.56 2.93 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -75.93 -38.56 57.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.798 0.332 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.06 -47.29 20.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.757 ' HG3' HD13 ' A' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -48.56 78.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.707 179.85 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.651 ' CE1' HD13 ' A' ' 330' ' ' LEU . 9.3 t80 -61.01 -45.65 93.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.278 179.567 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -33.56 65.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.502 179.658 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.3 ttp -66.62 -58.85 4.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.245 179.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.432 ' HB3' ' CD1' ' A' ' 341' ' ' PHE . 3.1 m-85 -61.34 -29.87 70.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.852 179.675 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -70.54 -37.38 74.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.304 179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -79.07 -31.17 44.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.294 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.799 ' O ' HD23 ' B' ' 348' ' ' LEU . 87.8 mt -76.77 -29.64 56.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.597 179.614 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -76.15 -40.05 53.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.737 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -73.95 -30.99 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.77 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.15 -30.65 58.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.015 179.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.799 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.0 mm? -75.11 -36.51 61.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -75.14 -30.57 60.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 6.6 mt -76.86 -32.03 57.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 11.5 ttmt -73.94 -31.67 63.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -71.74 -31.41 66.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -68.19 -31.28 70.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.952 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -65.0 -32.25 73.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -73.65 -40.64 63.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.515 -179.976 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.408 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 8.8 pt-20 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.872 0.368 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -84.29 153.04 23.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.408 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 51.2 m-85 -130.34 148.57 52.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -112.32 152.75 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.592 HD13 ' CE2' ' D' ' 338' ' ' PHE . 6.3 tp -163.33 147.4 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.409 ' HD3' ' CD2' ' D' ' 327' ' ' TYR . 22.1 ttmt -114.83 128.62 56.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.454 ' N ' HD12 ' C' ' 332' ' ' ILE . 3.8 mp -115.56 94.58 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.403 ' HB3' ' CE2' ' D' ' 327' ' ' TYR . 1.3 ptm180 -62.9 -30.55 71.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . -79.07 132.87 11.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.523 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ptt85 -71.53 -46.85 58.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -66.67 -38.66 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.768 ' HG3' HD13 ' D' ' 348' ' ' LEU . 0.0 OUTLIER -58.87 -48.65 80.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.762 179.877 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.411 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 11.6 t80 -58.85 -47.13 85.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.429 179.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.77 -33.51 61.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.564 179.681 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.476 ' O ' HD12 ' C' ' 344' ' ' LEU . 30.4 ttm -66.62 -59.43 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.254 179.451 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.433 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 4.2 m-85 -60.3 -28.86 68.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.758 179.666 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -68.28 -34.29 75.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.932 0.396 . . . . 0.0 110.251 179.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -81.06 -31.61 34.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.286 179.335 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.66 HD23 HD21 ' B' ' 344' ' ' LEU . 3.0 mp -77.43 -30.87 53.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.577 179.515 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 53.8 t-20 -77.57 -39.5 45.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -76.67 -28.18 55.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.721 179.731 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -79.19 -29.33 42.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.737 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.539 HD13 ' CG ' ' D' ' 337' ' ' ARG . 14.0 mt -77.32 -36.97 53.53 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -73.79 -28.18 61.52 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.744 179.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -32.34 64.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.854 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -66.53 -31.72 72.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -68.46 -34.45 75.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.46 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -67.48 -33.15 74.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -96.17 -68.17 0.81 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.49 -179.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.849 0.357 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.409 ' CD2' ' HD3' ' C' ' 331' ' ' LYS . 76.8 m-85 61.04 112.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.442 ' N ' ' CD2' ' D' ' 328' ' ' PHE . 3.4 m-85 -121.71 91.96 3.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.85 150.03 48.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.928 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 6.5 tp -168.1 134.61 2.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 131.66 54.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.481 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -108.07 142.38 20.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.26 31.71 2.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 179.96 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -139.18 118.16 1.49 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.957 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 2.9 ptt85 -60.7 -37.38 81.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -73.32 -46.37 49.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.961 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.539 ' CG ' HD13 ' C' ' 348' ' ' LEU . 0.0 OUTLIER -57.01 -46.89 81.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.737 179.895 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.592 ' CE2' HD13 ' C' ' 330' ' ' LEU . 10.7 t80 -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.461 179.69 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -54.63 -34.25 61.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.615 179.64 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -59.81 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.235 179.446 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.433 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 3.8 m-85 -60.98 -27.69 68.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.762 179.536 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -69.55 -36.55 76.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.189 179.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -80.17 -31.57 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.239 179.302 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.653 ' O ' HD12 ' D' ' 348' ' ' LEU . 0.8 OUTLIER -76.6 -29.04 56.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.532 179.479 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 52.7 t30 -76.39 -41.72 46.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.692 179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.42 ' O ' HD12 ' D' ' 350' ' ' LEU . 15.0 mt-10 -74.59 -32.1 62.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.616 179.79 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.05 -29.68 49.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.99 179.772 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.768 HD13 ' HG3' ' C' ' 337' ' ' ARG . 6.1 mt -77.11 -31.31 55.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.824 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -75.5 -29.54 59.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.42 HD12 ' O ' ' D' ' 346' ' ' GLU . 2.5 mt -75.23 -38.93 60.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.97 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.668 ' HD2' HD23 ' D' ' 348' ' ' LEU . 9.7 ptpt -71.14 -30.51 66.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -71.86 -30.97 66.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -79.72 -31.24 41.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 -179.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.448 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.44 -30.91 16.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.959 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -98.1 36.64 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.093 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.498 179.989 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.791 0.329 . . . . 0.0 111.186 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.422 ' CZ ' ' HD3' ' B' ' 333' ' ' ARG . 23.8 m-85 -142.3 147.3 36.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -155.46 95.83 1.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.914 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.445 ' CE1' ' HG2' ' B' ' 331' ' ' LYS . 61.4 m-85 -63.82 146.53 53.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 61.1 tp -161.88 126.53 3.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.84 138.35 42.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.872 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mp -135.81 118.6 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -79.56 70.6 6.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -172.87 112.63 0.44 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.478 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -39.24 85.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.08 -44.26 66.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.798 ' CG ' HD13 ' B' ' 348' ' ' LEU . 9.1 mtm180 -57.51 -44.11 84.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.728 179.915 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.641 ' CE2' HD22 ' B' ' 330' ' ' LEU . 12.9 t80 -60.39 -49.03 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 179.722 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -54.17 -33.29 57.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.724 179.69 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 9.1 mtm -66.59 -58.0 6.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.322 179.502 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.477 ' CD2' ' CD1' ' B' ' 341' ' ' PHE . 2.8 m-85 -61.97 -31.38 71.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.836 179.698 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 338' ' ' PHE . 4.2 tpt85 -71.6 -38.41 70.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.163 179.487 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -79.83 -29.5 40.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.227 179.242 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.789 ' CG ' HD21 ' D' ' 344' ' ' LEU . 0.4 OUTLIER -77.57 -30.5 52.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.597 179.567 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -77.45 -40.47 43.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.36 -29.75 57.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.677 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.2 -31.06 38.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 179.823 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.783 HD13 ' NE ' ' B' ' 337' ' ' ARG . 5.8 mt -77.8 -30.03 51.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.688 179.783 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -73.37 -27.88 61.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.739 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.61 -42.84 70.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.589 ' NZ ' HD23 ' A' ' 348' ' ' LEU . 1.6 ptpp? -65.79 -30.24 70.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -67.67 -31.52 71.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -63.58 -31.25 72.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -85.38 -39.33 17.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -132.02 78.59 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.505 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.797 0.332 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 60.29 108.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -114.47 100.02 8.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -71.39 127.06 31.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.918 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.641 HD22 ' CE2' ' A' ' 338' ' ' PHE . 27.2 tp -141.86 140.44 32.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 329' ' ' PHE . 4.4 mptt -109.06 122.1 46.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.53 ' N ' HD12 ' B' ' 332' ' ' ILE . 3.6 mp -111.14 138.87 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . 0.422 ' HD3' ' CZ ' ' A' ' 327' ' ' TYR . 0.5 OUTLIER -98.54 31.3 2.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.461 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -136.63 114.02 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.494 -179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 11.5 ttm105 -60.21 -47.98 83.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.94 -179.975 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -63.09 -40.56 98.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.783 ' NE ' HD13 ' A' ' 348' ' ' LEU . 4.0 mmp_? -57.81 -49.37 76.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -56.02 -44.5 78.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.729 179.935 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -55.28 -39.27 69.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . 0.497 ' HE1' HD11 ' A' ' 348' ' ' LEU . 7.8 ttm -67.23 -59.47 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.052 179.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CD1' ' CD2' ' A' ' 341' ' ' PHE . 4.9 m-85 -62.06 -18.96 62.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.084 179.505 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.93 -36.21 59.45 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.887 0.375 . . . . 0.0 110.223 179.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . 0.403 ' HG3' HD12 ' B' ' 344' ' ' LEU . 6.7 pt-20 -80.22 -28.68 38.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.328 179.354 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.766 ' HG ' HD21 ' C' ' 344' ' ' LEU . 0.6 OUTLIER -78.33 -32.32 49.12 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.528 179.541 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -76.12 -39.63 54.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.675 179.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -75.35 -31.13 60.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.722 179.814 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.59 -31.06 46.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.964 179.854 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.798 HD13 ' CG ' ' A' ' 337' ' ' ARG . 2.6 mt -77.13 -30.52 55.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.769 179.84 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -73.66 -28.86 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 2.1 mt -71.6 -40.55 69.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.481 ' NZ ' HD23 ' B' ' 348' ' ' LEU . 1.5 ptpp? -66.56 -29.63 69.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.929 -179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -67.9 -32.42 72.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -78.19 -31.16 49.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.067 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 8.1 mm-40 -81.87 -31.57 31.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.91 -30.91 25.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.077 179.999 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.371 -1.239 . . . . 0.0 112.53 -179.956 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . 0.42 ' HG3' ' CZ ' ' C' ' 328' ' ' PHE . 2.8 tp10 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.795 0.331 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -118.62 151.19 38.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.42 ' CZ ' ' HG3' ' C' ' 326' ' ' GLU . 9.6 m-85 -145.18 112.69 6.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -61.64 144.15 54.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.987 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.545 HD13 ' CE1' ' D' ' 338' ' ' PHE . 15.9 tp -139.59 113.38 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.436 ' HG3' ' CD2' ' D' ' 329' ' ' PHE . 8.4 mptt -77.18 90.99 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . . . . . . . . . 4.5 mt -89.31 104.22 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.072 179.95 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -85.31 76.71 10.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 172.69 136.82 2.23 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 3.7 ptm85 -74.91 -41.06 60.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 0.0 110.912 -179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -73.06 -46.98 48.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.454 ' CG ' HD13 ' D' ' 348' ' ' LEU . 21.7 mtm180 -57.03 -45.09 83.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.857 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.523 ' CE2' HD13 ' D' ' 330' ' ' LEU . 11.8 t80 -60.14 -47.07 87.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.451 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -54.83 -34.23 62.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.647 179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 2.0 ttp -66.54 -58.42 5.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.313 179.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.462 ' CD1' ' CD2' ' D' ' 341' ' ' PHE . 3.5 m-85 -60.55 -29.69 69.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.788 179.686 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -68.41 -36.18 78.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.255 179.49 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -80.35 -30.49 38.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.282 179.355 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.795 ' O ' HD23 ' C' ' 348' ' ' LEU . 0.5 OUTLIER -77.52 -30.01 52.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.601 179.588 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -77.18 -39.47 48.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.706 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -74.1 -29.63 61.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.793 179.8 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.03 -33.69 57.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' C' ' 344' ' ' LEU . 3.5 mm? -74.8 -32.47 62.01 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.755 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -72.1 -28.95 63.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.912 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.22 -42.31 65.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.455 ' HD2' HD13 ' C' ' 348' ' ' LEU . 0.3 OUTLIER -67.28 -31.43 71.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.878 -179.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -31.67 70.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -69.12 -31.03 69.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.113 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -66.0 -33.49 75.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.1 -44.77 8.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.374 -1.237 . . . . 0.0 112.514 179.994 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.801 0.334 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 60.45 100.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.406 ' CD2' ' N ' ' D' ' 328' ' ' PHE . 4.8 m-85 -107.01 89.64 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.95 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.436 ' CD2' ' HG3' ' C' ' 331' ' ' LYS . 88.3 m-85 -60.37 152.27 25.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.523 HD13 ' CE2' ' C' ' 338' ' ' PHE . 24.0 tp -161.26 138.96 9.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.968 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.48 117.9 35.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.612 ' N ' HD12 ' D' ' 332' ' ' ILE . 3.2 mp -107.5 143.21 18.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.96 96.88 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . 143.54 128.47 2.19 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.464 180.0 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -60.26 -50.48 73.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.82 -33.19 75.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.461 ' HG3' ' CE1' ' D' ' 341' ' ' PHE . 0.0 OUTLIER -62.23 -55.37 29.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.642 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.545 ' CE1' HD13 ' C' ' 330' ' ' LEU . 6.1 t80 -60.82 -42.4 97.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.083 179.472 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.29 -32.49 68.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.441 179.514 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 3.5 mtp -67.94 -59.61 3.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.344 179.437 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.462 ' CD2' ' CD1' ' C' ' 341' ' ' PHE . 2.7 m-85 -62.66 -25.8 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.726 179.565 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -72.1 -37.81 69.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.336 179.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -79.85 -29.96 40.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.305 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.789 HD21 ' CG ' ' A' ' 344' ' ' LEU . 0.6 OUTLIER -78.62 -30.61 46.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.517 179.572 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -78.04 -39.49 41.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.628 179.732 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.67 -30.07 59.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.632 179.777 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.59 -30.73 52.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 179.837 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' C' ' 337' ' ' ARG . 12.9 mt -76.22 -35.18 59.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.802 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -71.99 -30.28 65.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.718 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.48 -38.19 74.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.588 ' O ' ' HB3' ' D' ' 355' ' ' ALA . 14.0 ttmm -69.73 -31.18 69.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 -179.983 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.82 -32.08 63.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.97 -33.93 59.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . 0.427 ' OE1' ' HB2' ' D' ' 355' ' ' ALA . 0.0 OUTLIER -91.26 -32.21 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.588 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -105.46 31.05 5.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.511 -179.953 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.853 0.359 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -92.82 147.01 23.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -131.97 103.3 6.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -71.94 121.25 18.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.965 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.983 HD23 HD11 ' A' ' 332' ' ' ILE . 13.4 tp -132.32 134.33 45.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 26.2 ttmt -90.77 115.92 28.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 -179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.983 HD11 HD23 ' A' ' 330' ' ' LEU . 29.4 mm -107.62 131.77 56.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -99.5 95.65 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 154.27 128.61 1.23 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.504 -179.956 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -64.63 -66.67 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.768 0.318 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.12 -39.11 85.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.476 ' HG3' ' CZ ' ' A' ' 341' ' ' PHE . 0.0 OUTLIER -59.94 -52.71 64.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.808 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -61.76 -44.46 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.074 179.377 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.53 -31.89 66.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.376 179.433 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 3.5 tpp -67.33 -60.01 2.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.261 179.421 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.476 ' CZ ' ' HG3' ' A' ' 337' ' ' ARG . 2.3 m-85 -63.07 -28.55 70.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.77 179.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -73.31 -36.88 66.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.143 179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -75.81 -32.41 59.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.364 179.355 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.712 ' O ' HD23 ' A' ' 348' ' ' LEU . 86.3 mt -71.02 -31.59 68.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.534 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -71.94 -47.63 51.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.664 179.753 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -69.29 -31.46 69.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.736 179.75 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.433 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -75.09 -31.99 61.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 344' ' ' LEU . 1.4 mm? -71.82 -34.91 69.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.768 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -66.65 -30.47 70.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -44.91 83.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 7.8 ttmt -60.71 -35.22 75.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.74 -31.47 69.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.17 -41.74 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.36 -32.4 60.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -67.16 -43.43 82.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.362 -1.243 . . . . 0.0 112.502 179.99 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.425 ' HB2' ' CZ ' ' B' ' 328' ' ' PHE . 8.4 pt-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.797 0.332 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -107.53 152.81 23.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.425 ' CZ ' ' HB2' ' B' ' 326' ' ' GLU . 15.2 m-85 -150.35 122.01 8.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 -179.978 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 55.4 m-85 -73.66 148.2 42.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . . . . . . . . . 23.7 tp -145.36 111.05 5.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -85.95 83.92 7.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.5 127.22 39.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -100.25 78.31 2.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.85 179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 173.01 140.48 3.17 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -76.28 -42.52 45.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.788 0.328 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -74.48 -43.75 54.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.477 ' HG3' ' CE1' ' B' ' 341' ' ' PHE . 0.3 OUTLIER -58.6 -50.87 72.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.72 179.83 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -61.64 -44.3 97.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.142 179.428 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -56.73 -32.58 65.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.371 179.457 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 24.9 ttm -66.8 -61.25 2.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.123 179.304 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' B' ' 337' ' ' ARG . 6.1 m-85 -58.96 -28.1 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.523 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -35.56 80.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.037 179.315 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -74.24 -32.03 62.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.203 179.256 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.679 HD11 ' CG ' ' C' ' 344' ' ' LEU . 4.0 mm? -72.36 -44.31 62.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.516 179.571 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -65.96 -33.27 75.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 179.879 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.79 -43.28 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -71.96 -24.09 61.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.698 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . . . . . . . . . 33.8 tp -77.79 -37.16 49.46 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -70.67 -26.8 63.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.897 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -34.54 72.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.852 179.885 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' C' ' 347' ' ' ALA . 0.0 OUTLIER -72.94 -31.73 64.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.959 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -76.72 -31.13 56.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -75.49 -31.21 60.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.081 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -74.19 -31.37 62.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -74.59 -58.2 3.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.415 -1.214 . . . . 0.0 112.542 179.983 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.809 0.337 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 60.91 111.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.425 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 66.5 m-85 -133.15 109.37 9.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.441 ' CD1' ' HG3' ' D' ' 331' ' ' LYS . 50.4 m-85 -69.39 152.72 44.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.436 HD23 HD11 ' C' ' 332' ' ' ILE . 15.3 tp -165.0 118.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.938 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.72 108.06 18.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.621 HG23 ' OD1' ' D' ' 345' ' ' ASN . 3.9 mp -101.49 135.64 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 -179.953 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.03 -30.56 55.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.496 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -71.8 130.62 17.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -75.14 -49.66 18.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.808 0.337 . . . . 0.0 110.934 -179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -61.1 -46.09 92.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.816 ' HG2' HD22 ' D' ' 348' ' ' LEU . 3.6 tpt180 -57.97 -49.34 77.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.747 179.823 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' D' ' 328' ' ' PHE . 7.6 t80 -62.05 -44.15 97.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.151 179.443 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.52 -33.51 66.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.444 179.577 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.483 ' O ' HD12 ' C' ' 344' ' ' LEU . 10.9 ttm -66.03 -60.12 3.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.18 179.423 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.608 ' HE1' HD22 ' D' ' 344' ' ' LEU . 6.6 m-85 -58.41 -29.23 65.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.758 179.598 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -65.2 -37.38 87.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.127 179.336 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -77.18 -31.48 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.679 ' CG ' HD11 ' B' ' 344' ' ' LEU . 2.0 mp -73.86 -31.15 63.03 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.567 179.656 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.456 ' OD1' HG23 ' D' ' 332' ' ' ILE . 14.8 t30 -73.14 -44.0 60.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.717 179.802 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -70.48 -32.96 70.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.742 179.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.45 ' HB2' ' HE3' ' B' ' 351' ' ' LYS . . . -73.8 -31.91 63.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.009 179.866 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.85 -36.53 70.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 179.9 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.4 -29.35 67.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.45 -39.62 77.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.98 -43.52 87.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -63.36 -31.4 72.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.863 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.53 -32.71 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -74.39 -41.14 61.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -81.47 -54.33 5.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.158 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 179.97 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 63.3 139.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' C' ' 338' ' ' PHE . 15.1 m-85 -153.03 109.23 3.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -66.99 152.47 45.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' D' ' 330' ' ' LEU . 7.6 tp -162.59 138.18 7.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.441 ' HG3' ' CD1' ' C' ' 329' ' ' PHE . 0.0 OUTLIER -109.35 83.73 1.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.938 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.559 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -76.65 101.69 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.119 -179.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 66.19 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -163.15 115.77 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.47 -179.999 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -60.21 -48.19 82.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.343 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.18 -48.25 24.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.406 ' HG2' ' CZ ' ' D' ' 341' ' ' PHE . 5.8 ttm180 -56.48 -44.17 80.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.756 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' C' ' 328' ' ' PHE . 12.1 t80 -61.45 -48.64 80.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.334 179.591 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -54.79 -32.27 59.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.683 179.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 26.1 ttm -66.85 -57.68 6.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.384 179.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.426 ' HB3' ' CG ' ' C' ' 341' ' ' PHE . 1.8 m-85 -61.88 -31.73 72.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.754 179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -32.4 72.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.363 179.505 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -77.43 -32.58 54.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.399 179.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.608 HD22 ' HE1' ' C' ' 341' ' ' PHE . 4.5 mp -73.77 -38.7 64.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.613 179.626 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . 0.621 ' OD1' HG23 ' C' ' 332' ' ' ILE . 53.1 t30 -68.68 -37.49 79.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.669 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.493 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.1 tt0 -72.18 -43.95 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 179.743 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -69.75 -27.8 65.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.748 179.594 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.816 HD22 ' HG2' ' C' ' 337' ' ' ARG . 6.8 tp -72.29 -36.75 69.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.699 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -64.38 -29.56 70.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.493 HD23 ' O ' ' D' ' 346' ' ' GLU . 4.2 mm? -69.12 -49.9 52.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.578 ' HD2' HD12 ' D' ' 348' ' ' LEU . 0.2 OUTLIER -64.31 -31.28 72.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 -179.97 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -70.08 -31.49 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -74.85 -31.2 61.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.089 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -91.08 -35.87 14.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -92.32 -60.24 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.411 -1.216 . . . . 0.0 112.506 179.968 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.81 0.338 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 60.65 111.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.94 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -126.53 101.95 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -60.93 129.47 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 37.1 tp -138.73 116.2 11.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -89.04 106.91 18.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.545 HG21 ' HE1' ' A' ' 341' ' ' PHE . 3.8 mp -102.47 131.67 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 -179.968 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -96.56 94.79 7.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . 158.65 134.13 1.65 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.512 -179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 25.1 ptt-85 -74.66 -33.57 62.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.765 0.317 . . . . 0.0 110.907 -179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -75.39 -54.6 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 -179.92 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.848 ' CG ' HD13 ' B' ' 348' ' ' LEU . 18.8 mtm180 -55.04 -41.66 71.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.746 179.808 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.542 ' CE2' HD13 ' B' ' 330' ' ' LEU . 11.0 t80 -61.88 -47.07 86.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.394 179.611 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . 0.418 ' HA ' ' CG ' ' A' ' 342' ' ' ARG . 6.0 mm-40 -55.93 -30.75 62.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 -179.941 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.3 ttm -72.92 -54.15 9.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.934 0.397 . . . . 0.0 110.27 179.519 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.545 ' HE1' HG21 ' A' ' 332' ' ' ILE . 1.6 m-85 -66.91 -28.52 68.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.216 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . 0.418 ' CG ' ' HA ' ' A' ' 339' ' ' GLU . 0.0 OUTLIER -79.42 -32.62 42.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.969 0.414 . . . . 0.0 110.195 179.492 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -80.95 -33.51 33.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.227 179.281 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.718 ' O ' HD23 ' A' ' 348' ' ' LEU . 0.5 OUTLIER -74.1 -32.3 63.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 179.4 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.04 -43.44 62.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.714 179.807 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.413 ' O ' HD23 ' A' ' 350' ' ' LEU . 11.8 pt-20 -75.01 -23.23 58.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.05 179.866 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.402 ' HA ' ' CD2' ' A' ' 350' ' ' LEU . . . -85.51 -29.67 24.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.913 179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.718 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.8 mm? -80.48 -27.12 37.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.801 179.766 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.28 -31.76 38.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.08 -179.944 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.564 ' C ' HD12 ' A' ' 350' ' ' LEU . 3.6 pp -80.1 -29.94 39.1 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.82 0.343 . . . . 0.0 110.769 179.892 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.473 ' N ' HD12 ' A' ' 350' ' ' LEU . 4.6 ttmm -78.52 -29.9 46.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.828 179.82 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -75.17 -31.06 60.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.892 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.44 -31.42 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -80.41 -32.43 37.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.95 -57.05 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 60.17 106.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' B' ' 328' ' ' PHE . 4.0 m-85 -113.03 114.37 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -68.81 151.61 46.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.839 HD23 HD11 ' B' ' 332' ' ' ILE . 9.0 tp -160.03 103.08 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -71.79 103.57 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.839 HD11 HD23 ' B' ' 330' ' ' LEU . 27.6 mm -88.12 115.5 28.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.205 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.36 78.18 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . 167.43 141.29 3.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.445 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 7.2 ttm180 -73.94 -56.54 4.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.03 -37.8 88.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.472 ' HG3' ' CE2' ' B' ' 341' ' ' PHE . 0.4 OUTLIER -59.72 -51.92 67.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -60.36 -45.25 94.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.246 179.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -56.44 -31.84 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.377 179.444 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 6.3 ttm -67.01 -61.32 1.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.103 179.31 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.522 ' HA ' HD12 ' B' ' 344' ' ' LEU . 6.2 m-85 -59.29 -28.45 66.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 2.5 ttm-85 -68.64 -34.85 76.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.916 0.389 . . . . 0.0 110.229 179.432 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -79.56 -30.99 41.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.339 179.362 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.733 ' O ' HD12 ' B' ' 348' ' ' LEU . 15.5 mt -75.23 -30.24 60.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.615 179.61 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -75.83 -43.13 47.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.666 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -73.51 -30.05 62.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.772 179.742 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.37 -31.3 48.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 179.891 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.848 HD13 ' CG ' ' A' ' 337' ' ' ARG . 0.6 OUTLIER -75.99 -31.22 58.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.754 179.902 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -71.67 -30.18 65.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.761 179.768 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.5 -36.36 82.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 179.938 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . 0.507 ' HZ2' HD23 ' B' ' 348' ' ' LEU . 9.3 mttp -60.31 -38.66 84.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.92 -35.87 73.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.4 -30.83 65.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.088 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -84.92 -36.81 21.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -102.09 -66.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.394 -1.225 . . . . 0.0 112.472 179.976 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.804 0.335 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 60.78 111.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -124.2 117.97 25.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . 0.43 ' CE1' ' HE2' ' D' ' 331' ' ' LYS . 87.3 m-85 -64.46 127.26 30.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.72 HD13 ' CE1' ' D' ' 338' ' ' PHE . 14.2 tp -132.0 98.15 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -99.54 105.75 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.599 HD11 ' CD2' ' C' ' 330' ' ' LEU . 3.8 mp -103.26 137.04 33.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.29 31.06 3.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.498 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -125.37 129.32 6.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 17.4 ttt-85 -75.52 -42.48 52.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 56.6 mt-10 -73.93 -50.45 20.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -57.29 -40.37 77.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.728 179.826 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -62.33 -47.44 84.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.423 179.69 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -54.61 -34.62 62.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.697 179.789 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 tpp -66.17 -57.52 7.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.415 179.502 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.405 ' HB3' ' CG ' ' D' ' 341' ' ' PHE . 3.0 m-85 -60.24 -30.09 69.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.767 179.65 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.5 -37.01 84.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.221 179.452 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -77.36 -32.65 55.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.354 179.471 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.525 HD22 ' CD2' ' B' ' 344' ' ' LEU . 66.1 mt -73.61 -29.32 62.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.589 179.605 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -74.29 -44.64 51.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.746 179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.25 -32.07 66.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.749 179.811 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.494 ' HB2' ' CE ' ' B' ' 351' ' ' LYS . . . -77.24 -30.21 54.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.952 179.857 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.411 HD12 ' HD2' ' D' ' 337' ' ' ARG . 14.6 mt -75.78 -31.18 59.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -71.92 -31.19 66.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.22 -41.65 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.852 179.922 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.26 -31.54 72.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.979 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -63.94 -34.28 77.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.72 71.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -81.02 -41.95 21.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -97.56 36.96 1.42 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.061 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.537 179.944 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.759 0.314 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -85.6 147.7 26.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -134.1 95.88 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -65.79 137.01 56.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.529 HD23 HD11 ' D' ' 332' ' ' ILE . 14.3 tp -149.43 99.84 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . 0.43 ' HE2' ' CE1' ' C' ' 329' ' ' PHE . 15.3 ttmt -87.59 85.89 7.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.551 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -73.27 149.67 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -110.6 38.5 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.975 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -140.9 141.1 10.97 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.52 179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -74.77 -66.98 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.789 0.328 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -58.9 -37.7 77.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.47 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 0.2 OUTLIER -60.52 -53.46 57.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.559 179.826 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.72 ' CE1' HD13 ' C' ' 330' ' ' LEU . 7.1 t80 -61.91 -43.98 97.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.986 179.448 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -57.76 -31.99 67.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.32 179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . . . . . . . . . 7.0 ttm -66.9 -60.17 2.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.287 179.407 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.47 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 3.2 m-85 -62.46 -28.89 70.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.716 179.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -71.71 -37.2 70.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.169 179.301 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -78.86 -31.76 45.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.256 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.813 ' O ' HD23 ' D' ' 348' ' ' LEU . 5.4 mt -75.5 -30.05 59.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.498 179.587 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -74.89 -42.1 58.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.843 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.492 ' O ' HD23 ' D' ' 350' ' ' LEU . 2.9 mm-40 -72.37 -32.72 66.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.809 179.848 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.438 ' HB2' ' CE ' ' A' ' 351' ' ' LYS . . . -75.57 -30.69 59.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 179.865 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.813 HD23 ' O ' ' D' ' 344' ' ' LEU . 3.3 mm? -74.61 -34.09 62.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 179.958 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.46 -29.36 67.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.899 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.492 HD23 ' O ' ' D' ' 346' ' ' GLU . 2.9 mm? -70.56 -44.97 66.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.595 ' HD2' HD13 ' D' ' 348' ' ' LEU . 0.3 OUTLIER -65.88 -31.03 71.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 -179.94 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -68.96 -31.45 70.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.71 -37.68 55.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.03 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.04 -30.12 24.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' D' ' 351' ' ' LYS . . . -111.11 36.45 3.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.513 179.991 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 328' ' ' PHE . 2.0 tp10 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.835 0.35 . . . . 0.0 111.204 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -98.14 152.49 19.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 326' ' ' GLU . 18.1 m-85 -139.2 89.29 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' B' ' 329' ' ' PHE . 0.1 OUTLIER -65.79 129.5 40.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.99 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.874 HD13 ' CE1' ' B' ' 338' ' ' PHE . 17.2 tp -126.96 124.38 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -101.64 83.67 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.939 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 332' ' ' ILE . 3.9 mp -79.68 143.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -109.93 74.59 0.89 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.975 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -175.33 122.93 0.9 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.04 86.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.748 0.309 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -78.33 -49.49 13.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.412 ' HG2' ' CZ ' ' A' ' 341' ' ' PHE . 0.1 OUTLIER -57.1 -48.99 77.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.674 179.832 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.429 ' CD2' ' HB2' ' B' ' 328' ' ' PHE . 7.4 t80 -61.59 -43.49 98.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.185 179.512 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -56.71 -34.09 67.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.513 179.667 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -66.45 -59.35 3.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.22 179.465 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.412 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.3 m-85 -63.41 -29.7 70.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.733 179.65 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -71.4 -33.72 69.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.99 0.424 . . . . 0.0 110.072 179.335 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -81.54 -31.46 32.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.17 179.254 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.732 HD11 HD21 ' D' ' 344' ' ' LEU . 0.6 OUTLIER -77.21 -33.01 56.29 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.365 179.518 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -75.93 -40.38 54.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.438 179.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.503 ' O ' HD12 ' A' ' 350' ' ' LEU . 0.8 OUTLIER -72.03 -32.45 67.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.646 179.708 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -72.14 -34.82 68.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.904 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 344' ' ' LEU . 12.3 mt -69.15 -39.77 78.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.666 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.61 -30.79 71.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.778 179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.503 HD12 ' O ' ' A' ' 346' ' ' GLU . 0.6 OUTLIER -65.24 -40.57 94.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 179.98 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -59.95 -33.01 71.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.48 -38.3 83.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.32 84.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.057 179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.5 mm-40 -65.06 -32.27 73.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -85.81 -71.43 0.54 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.537 179.964 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.8 0.334 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 60.55 106.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD2' ' A' ' 338' ' ' PHE . 17.4 m-85 -116.77 123.63 47.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.42 ' HB3' ' CE1' ' A' ' 329' ' ' PHE . 68.4 m-85 -77.82 134.46 38.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.825 HD23 HD11 ' B' ' 332' ' ' ILE . 15.7 tp -139.07 115.81 10.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 27.4 tttt -90.74 103.24 15.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.825 HD11 HD23 ' B' ' 330' ' ' LEU . 4.5 mt -103.11 99.43 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.05 179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -71.4 79.1 0.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -177.26 135.11 2.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.984 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -74.5 -66.59 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -59.73 -37.35 78.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.452 ' HG3' ' CZ ' ' B' ' 341' ' ' PHE . 1.3 tpp180 -59.31 -51.23 70.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.694 179.871 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.874 ' CE1' HD13 ' A' ' 330' ' ' LEU . 10.1 t80 -59.3 -46.72 87.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.257 179.587 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -55.19 -32.43 62.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 4.4 ttp -66.71 -60.85 2.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.187 179.353 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.515 ' HA ' HD12 ' B' ' 344' ' ' LEU . 7.0 m-85 -58.75 -27.48 64.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.621 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.437 ' HG3' ' CE2' ' B' ' 338' ' ' PHE . 0.3 OUTLIER -67.9 -37.17 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.028 179.275 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -76.05 -32.64 59.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.285 179.412 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' C' ' 344' ' ' LEU . 32.7 mt -71.51 -31.18 66.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.504 179.639 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 63.6 t-20 -72.08 -46.87 55.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.631 179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -66.63 -31.3 71.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.796 179.797 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' C' ' 347' ' ' ALA . . . -71.34 -37.03 71.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.795 HD23 ' O ' ' B' ' 344' ' ' LEU . 3.6 mm? -66.89 -38.42 86.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.737 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -67.14 -30.39 70.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.865 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.445 HD22 ' HA ' ' B' ' 350' ' ' LEU . 0.2 OUTLIER -66.71 -38.41 86.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 179.961 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -62.1 -36.65 82.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -59.82 -33.04 71.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.69 -33.06 66.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.065 -179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -80.25 -40.88 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.969 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -109.84 32.03 5.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.093 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.503 179.982 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.799 0.333 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -159.21 152.54 22.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . 0.439 ' HB2' ' CD2' ' D' ' 338' ' ' PHE . 10.5 m-85 -141.58 98.71 3.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -60.21 116.61 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.579 HD12 ' CE2' ' D' ' 338' ' ' PHE . 4.0 tt -117.96 106.24 12.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.446 ' HE2' ' CD1' ' D' ' 327' ' ' TYR . 10.1 tttt -77.97 109.59 12.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.457 HG22 ' H ' ' C' ' 334' ' ' GLY . 3.8 mt -107.48 120.0 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . 0.418 ' HD2' ' CE1' ' D' ' 327' ' ' TYR . 10.5 ttt-85 -100.37 36.59 1.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.998 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.457 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -141.36 114.83 0.95 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.471 179.945 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.79 -36.05 75.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.762 0.315 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.21 -44.23 26.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.839 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.598 ' CG ' HD13 ' D' ' 348' ' ' LEU . 2.7 ttm180 -61.99 -44.47 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.431 179.719 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -62.09 -45.59 92.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.516 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.36 -34.71 64.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.57 179.683 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.7 tpp -66.29 -58.98 4.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.281 179.456 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.422 ' HB3' ' CD1' ' D' ' 341' ' ' PHE . 3.2 m-85 -61.33 -29.68 70.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.768 179.609 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -69.73 -36.89 76.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.971 0.415 . . . . 0.0 110.19 179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 14.3 tm-20 -78.13 -32.32 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.299 179.426 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 1.003 HD22 HD22 ' B' ' 344' ' ' LEU . 66.2 mt -76.06 -33.29 59.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.545 179.568 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -72.26 -37.82 68.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.505 179.673 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.55 -40.24 84.96 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.569 179.683 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . 0.8 ' HB1' ' HB1' ' B' ' 347' ' ' ALA . . . -71.17 -26.37 62.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.617 179.453 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.858 HD13 ' O ' ' C' ' 344' ' ' LEU . 6.3 mp -75.98 -45.46 34.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.756 179.752 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -70.87 -28.47 64.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.769 179.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.82 -31.08 61.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.729 179.783 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' B' ' 347' ' ' ALA . 11.3 mttm -68.46 -36.41 78.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.82 179.881 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -61.88 -36.09 80.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -62.75 -37.64 87.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -71.58 -39.37 70.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -66.57 -31.39 72.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.494 179.979 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.827 0.346 . . . . 0.0 111.239 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . 0.446 ' CD1' ' HE2' ' C' ' 331' ' ' LYS . 45.7 m-85 -102.78 153.0 20.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -144.51 89.73 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -60.13 152.87 23.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . . . . . . . . . 21.6 tp -153.99 111.33 3.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -86.63 83.59 7.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.561 ' H ' HD12 ' D' ' 332' ' ' ILE . 3.7 mp -70.87 131.18 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 9.2 ttm180 -102.4 35.76 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . 0.48 ' H ' HG22 ' D' ' 332' ' ' ILE . . . -140.36 125.9 3.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.528 -179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 6.5 ttt180 -60.63 -66.01 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -59.76 -38.66 82.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.454 ' HG3' ' CZ ' ' D' ' 341' ' ' PHE . 45.2 ttp180 -60.3 -53.44 57.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.55 179.797 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' C' ' 330' ' ' LEU . 7.4 t80 -62.14 -43.79 98.06 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.034 179.353 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -57.57 -32.02 66.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.376 179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.496 ' O ' HD12 ' D' ' 344' ' ' LEU . 5.5 ttm -67.52 -60.43 2.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.189 179.404 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.454 ' CZ ' ' HG3' ' D' ' 337' ' ' ARG . 2.7 m-85 -60.42 -27.16 67.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.729 179.563 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -69.67 -40.6 76.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.305 179.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.11 -32.27 59.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.312 179.391 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 344' ' ' LEU . 1.5 mp -74.41 -31.6 62.38 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.472 179.519 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -71.56 -41.98 68.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.727 179.836 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -74.91 -30.1 61.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.817 179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . . . . . . . . . . . -80.01 -27.77 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.035 179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.717 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -79.54 -31.26 42.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 179.953 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.0 -27.61 57.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 179.828 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 1.7 mt -75.09 -38.63 61.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.498 ' HD2' HD23 ' D' ' 348' ' ' LEU . 19.7 ptpt -68.39 -30.73 69.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.884 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -67.93 -31.52 71.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.13 58.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -89.24 -34.52 16.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.45 75.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.454 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.81 0.338 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . 0.411 ' CD2' ' HD3' ' B' ' 331' ' ' LYS . 13.5 m-85 61.46 114.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -130.53 138.66 50.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . 0.489 ' C ' HD23 ' A' ' 330' ' ' LEU . 23.3 m-85 -109.31 151.75 26.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.788 HD12 HD11 ' A' ' 332' ' ' ILE . 0.3 OUTLIER -153.54 139.63 18.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.971 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . 0.421 ' HE3' ' CZ ' ' B' ' 329' ' ' PHE . 6.1 tttt -106.16 91.55 3.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 -179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 0.788 HD11 HD12 ' A' ' 330' ' ' LEU . 30.3 mm -72.11 125.95 31.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.154 -179.999 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . 0.439 ' HD2' ' CZ ' ' B' ' 327' ' ' TYR . 25.0 ttp85 -98.69 32.48 2.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . 0.541 ' H ' HG22 ' A' ' 332' ' ' ILE . . . -140.58 128.04 3.66 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.88 -64.99 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.8 -36.62 79.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.571 ' HG3' HD13 ' B' ' 348' ' ' LEU . 2.2 ttm180 -58.78 -49.37 77.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.813 179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . 0.587 ' CE1' HD13 ' B' ' 330' ' ' LEU . 13.0 t80 -58.56 -48.6 80.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 179.621 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -54.55 -32.85 59.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.668 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 5.7 ttm -66.84 -58.46 4.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.337 179.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.415 ' CZ ' ' HG2' ' A' ' 337' ' ' ARG . 3.5 m-85 -60.19 -30.48 69.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.677 179.611 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.94 -39.69 87.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.149 179.407 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -76.9 -31.81 56.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.233 179.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.796 HD21 HD11 ' D' ' 344' ' ' LEU . 0.2 OUTLIER -74.05 -30.54 62.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.493 179.552 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 21.4 m-20 -72.69 -44.31 61.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.659 179.777 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -72.58 -31.26 65.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.646 179.757 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . . . . . . . . . . . -77.46 -32.62 54.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 179.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 344' ' ' LEU . 0.5 OUTLIER -74.21 -30.32 62.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.801 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.67 -29.12 65.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.806 179.849 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -66.58 -38.04 86.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.519 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 0.5 OUTLIER -61.48 -33.48 73.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.927 179.973 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.89 -32.21 73.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.56 -43.54 63.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.81 -30.96 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -83.03 -63.98 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.079 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.388 -1.229 . . . . 0.0 112.436 179.941 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . 0.419 ' HG2' ' CZ ' ' B' ' 328' ' ' PHE . 7.6 tt0 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.795 0.331 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . 0.439 ' CZ ' ' HD2' ' A' ' 333' ' ' ARG . 73.6 m-85 -139.95 152.83 46.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . 0.419 ' CZ ' ' HG2' ' B' ' 326' ' ' GLU . 40.9 m-85 -145.46 150.82 37.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . 0.421 ' CZ ' ' HE3' ' A' ' 331' ' ' LYS . 17.5 m-85 -108.43 152.2 25.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.587 HD13 ' CE1' ' A' ' 338' ' ' PHE . 17.0 tp -156.39 152.75 27.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . 0.584 ' C ' HD12 ' B' ' 332' ' ' ILE . 5.1 tmmm? -143.75 145.59 32.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.584 HD12 ' C ' ' B' ' 331' ' ' LYS . 3.4 mp -145.33 149.29 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -98.9 31.3 3.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . . . . . . . . . . . -133.19 118.81 2.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -33.31 75.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.789 0.328 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -74.41 -46.8 37.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . 0.629 ' HG3' HD13 ' A' ' 348' ' ' LEU . 7.7 ttm180 -57.74 -45.81 85.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.73 179.788 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . 0.461 ' CD2' HD22 ' A' ' 330' ' ' LEU . 9.7 t80 -60.24 -45.96 91.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.311 179.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -54.26 -35.3 62.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.619 179.703 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 15.2 ttm -65.27 -59.53 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.244 179.413 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' B' ' 337' ' ' ARG . 6.7 m-85 -59.0 -30.18 67.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.784 179.613 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' B' ' 338' ' ' PHE . 0.0 OUTLIER -66.03 -33.83 76.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.015 0.436 . . . . 0.0 110.148 179.4 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -81.1 -27.24 35.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.24 179.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.622 ' O ' HD12 ' B' ' 348' ' ' LEU . 3.5 mp -82.09 -38.05 25.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.74 179.773 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' B' ' 346' ' ' GLU . 49.0 p30 -79.85 -24.0 41.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.63 179.602 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . 0.469 ' O ' HD12 ' B' ' 350' ' ' LEU . 53.1 tt0 -82.97 -33.34 26.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.52 179.566 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -78.62 -32.64 47.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.622 HD12 ' O ' ' B' ' 344' ' ' LEU . 2.3 mt -77.58 -34.14 53.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.516 179.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -72.9 -30.11 63.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . 0.469 HD12 ' O ' ' B' ' 346' ' ' GLU . 2.5 mt -73.49 -39.52 64.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -67.38 -31.11 71.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -68.08 -31.25 70.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.16 -41.61 63.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.089 -179.951 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.95 -31.7 27.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.87 -34.72 73.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.066 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.395 -1.225 . . . . 0.0 112.521 -179.99 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.865 0.364 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -103.97 153.0 21.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -145.5 126.28 14.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -87.69 153.0 21.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . . . . . . . . . 23.4 tp -170.92 124.38 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.483 ' O ' HD13 ' C' ' 332' ' ' ILE . 40.4 mtpt -88.25 143.4 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.981 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.54 HD12 ' CE1' ' C' ' 341' ' ' PHE . 27.0 mm -126.38 114.09 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -92.73 86.28 5.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.957 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . . . . . . . . . . . 156.9 140.82 3.03 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 8.1 ptt85 -72.08 -43.81 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -73.2 -43.91 60.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.45 ' HG2' HG23 ' C' ' 332' ' ' ILE . 19.7 ttp180 -58.7 -51.21 70.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.635 179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.429 ' CD1' ' HB2' ' D' ' 328' ' ' PHE . 7.7 t80 -62.01 -43.98 97.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.15 179.394 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -57.38 -32.42 66.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . . . . . . . . . 1.8 ttp -67.34 -59.81 3.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.263 179.432 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.54 ' CE1' HD12 ' C' ' 332' ' ' ILE . 2.0 m-85 -62.89 -27.97 69.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.797 179.654 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -75.44 -38.56 59.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.348 179.516 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -31.2 48.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.317 179.445 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.765 ' O ' HD12 ' C' ' 348' ' ' LEU . 44.0 mt -77.19 -29.58 54.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.647 179.644 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.623 ' OD1' HG23 ' D' ' 332' ' ' ILE . 53.1 t30 -76.09 -38.66 56.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.723 179.812 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . 0.644 ' O ' HD23 ' C' ' 350' ' ' LEU . 3.9 tt0 -73.58 -34.97 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.739 179.823 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -75.54 -32.71 60.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.967 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.765 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.4 OUTLIER -74.1 -30.32 62.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.694 179.81 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -70.03 -30.02 67.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.806 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . 0.644 HD23 ' O ' ' C' ' 346' ' ' GLU . 3.7 mm? -66.83 -43.76 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.936 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . 0.59 ' HD3' HD23 ' C' ' 348' ' ' LEU . 19.9 ptmt -68.84 -31.16 69.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.902 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -72.97 -34.46 66.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -73.67 -39.49 64.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.35 -30.94 48.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.945 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -75.34 -30.74 60.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.317 -1.268 . . . . 0.0 112.452 -179.991 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.791 0.329 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 60.77 111.47 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 179.999 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . 0.429 ' HB2' ' CD1' ' C' ' 338' ' ' PHE . 5.4 m-85 -132.46 109.14 9.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -62.45 151.7 36.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 1.094 HD23 HD11 ' D' ' 332' ' ' ILE . 13.8 tp -155.77 124.48 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 -179.986 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 21.3 mtmt -109.78 92.72 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 1.094 HD11 HD23 ' D' ' 330' ' ' LEU . 3.9 mp -90.75 144.33 9.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 -179.979 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.0 72.21 0.84 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -169.76 120.6 0.88 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.515 -179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.69 -45.09 95.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.822 0.344 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.22 -45.99 62.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.623 ' HG3' HD13 ' C' ' 348' ' ' LEU . 6.1 ttm180 -56.64 -45.71 81.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.733 179.915 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -59.89 -48.0 83.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.477 179.595 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . 0.401 ' HA ' ' HG2' ' D' ' 342' ' ' ARG . 6.9 mm-40 -55.6 -29.02 58.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.943 179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.517 ' SD ' HD13 ' C' ' 344' ' ' LEU . 31.1 ttm -71.38 -57.0 4.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.089 179.454 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.423 ' CG ' ' HB3' ' C' ' 341' ' ' PHE . 3.0 m-85 -63.84 -32.18 73.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.23 179.769 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . 0.401 ' HG2' ' HA ' ' D' ' 339' ' ' GLU . 0.0 OUTLIER -74.34 -31.97 62.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.963 0.411 . . . . 0.0 110.094 179.476 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -81.92 -32.11 31.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.147 179.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.796 HD11 HD21 ' A' ' 344' ' ' LEU . 0.6 OUTLIER -76.13 -34.61 59.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.356 179.452 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -72.8 -39.92 66.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.514 179.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . 0.583 ' O ' HD12 ' D' ' 350' ' ' LEU . 3.7 mm-40 -72.63 -37.28 68.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.729 179.785 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.519 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -73.85 -30.52 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 179.803 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.705 HD12 ' O ' ' D' ' 344' ' ' LEU . 0.7 OUTLIER -73.66 -32.85 64.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.688 179.834 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -68.73 -30.92 69.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.823 179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . 0.583 HD12 ' O ' ' D' ' 346' ' ' GLU . 0.7 OUTLIER -66.21 -42.34 88.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.938 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.26 -31.27 68.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -65.71 -38.68 89.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.14 65.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.056 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -73.97 -31.64 63.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -76.14 -32.7 59.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.511 -179.989 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 326' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 327' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -152.49 131.68 12.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 328' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -126.55 153.07 45.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 329' ' ' PHE . . . . . . . . . . . . . 48.1 m-85 -128.39 142.85 50.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 1.011 HD23 HD11 ' A' ' 332' ' ' ILE . 3.7 tp -141.31 113.07 7.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 331' ' ' LYS . . . . . . . . . . . . . 12.6 mttp -89.14 83.69 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 332' ' ' ILE . . . . . 1.011 HD11 HD23 ' A' ' 330' ' ' LEU . 4.3 mt -91.8 123.46 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.973 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 333' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -86.97 68.48 10.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 334' ' ' GLY . . . . . . . . . . . . . . . -159.1 136.39 4.65 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.432 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 335' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -76.22 -47.05 25.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.764 0.316 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 336' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -72.71 -44.03 62.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 337' ' ' ARG . . . . . 0.718 ' HD3' HD13 ' B' ' 348' ' ' LEU . 17.7 ttp180 -58.39 -50.94 71.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.561 179.771 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 338' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -62.57 -45.52 92.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.964 179.315 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 339' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -56.77 -31.4 64.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.418 179.505 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 340' ' ' MET . . . . . . . . . . . . . 12.1 ttm -67.62 -59.93 2.95 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.271 179.448 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 341' ' ' PHE . . . . . 0.65 ' CE1' HD13 ' A' ' 332' ' ' ILE . 2.2 m-85 -61.41 -27.88 68.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.684 179.627 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 342' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -40.44 71.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.287 179.475 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -76.65 -32.91 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.339 179.463 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 344' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 348' ' ' LEU . 76.7 mt -75.31 -29.43 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.519 179.483 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -73.3 -41.2 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.672 179.792 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 346' ' ' GLU . . . . . 0.534 ' O ' HD23 ' A' ' 350' ' ' LEU . 6.3 tt0 -70.42 -38.29 74.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.757 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 347' ' ' ALA . . . . . 0.524 ' HB2' ' CE ' ' D' ' 351' ' ' LYS . . . -72.2 -31.96 66.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.939 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 348' ' ' LEU . . . . . 0.796 HD23 ' O ' ' A' ' 344' ' ' LEU . 3.0 mm? -71.52 -32.69 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.696 179.828 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 349' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -65.8 -32.53 74.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.795 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 350' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 346' ' ' GLU . 4.1 mm? -66.59 -37.39 84.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.847 179.921 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 351' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' D' ' 347' ' ' ALA . 10.5 mtpp -60.45 -35.78 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 352' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -59.39 -39.08 82.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.817 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 353' ' ' ALA . . . . . . . . . . . . . . . -59.8 -32.08 70.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.13 -52.47 16.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -104.34 37.35 2.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.387 -1.229 . . . . 0.0 112.509 179.965 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 326' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.823 0.344 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 327' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 62.91 144.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 328' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -153.53 154.02 33.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.817 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 329' ' ' PHE . . . . . . . . . . . . . 10.6 p90 -156.81 119.09 3.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 330' ' ' LEU . . . . . 0.529 HD23 ' H ' ' B' ' 330' ' ' LEU . 1.4 pt? -115.25 142.03 47.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.82 179.989 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 331' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -99.22 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 332' ' ' ILE . . . . . 0.554 HG22 ' H ' ' B' ' 334' ' ' GLY . 3.9 mp -93.82 130.99 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 333' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -98.89 31.24 3.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 334' ' ' GLY . . . . . 0.554 ' H ' HG22 ' B' ' 332' ' ' ILE . . . -131.67 126.25 4.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.469 -179.976 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 335' ' ' ARG . . . . . . . . . . . . . 14.9 tpt180 -66.82 -41.84 86.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 336' ' ' GLU . . . . . . . . . . . . . 27.0 mp0 -71.85 -46.33 58.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 337' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 -57.57 -42.87 83.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.744 179.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 338' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -60.73 -48.02 83.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.518 179.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 339' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -54.23 -33.68 58.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 340' ' ' MET . . . . . . . . . . . . . 1.6 mtp -66.74 -59.08 3.88 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.267 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 341' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -61.3 -29.41 69.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.756 179.632 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 342' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 -68.92 -35.06 76.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.968 0.414 . . . . 0.0 110.202 179.387 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 343' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.32 -32.01 38.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.323 179.36 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 344' ' ' LEU . . . . . 0.691 HD21 ' CG ' ' C' ' 344' ' ' LEU . 0.7 OUTLIER -77.66 -30.2 51.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.532 179.585 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' B' B ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -76.57 -37.85 55.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.674 179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 346' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -74.16 -33.7 63.58 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.768 179.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.14 -31.81 58.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.966 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 348' ' ' LEU . . . . . 0.718 HD13 ' HD3' ' A' ' 337' ' ' ARG . 3.4 mt -75.38 -31.33 60.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 179.849 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 349' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.83 -31.33 66.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 350' ' ' LEU . . . . . . . . . . . . . 10.0 mt -68.94 -40.19 79.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 351' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -64.33 -40.16 95.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 352' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -64.8 -32.32 73.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 353' ' ' ALA . . . . . . . . . . . . . . . -76.52 -30.46 57.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.083 179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 354' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -77.47 -33.53 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 355' ' ' ALA . . . . . . . . . . . . . . . -95.82 -58.08 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.064 -179.998 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.37 -1.239 . . . . 0.0 112.517 -179.977 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 326' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.806 0.336 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' C' C ' 327' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -133.26 111.1 10.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.986 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 328' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -110.26 124.7 52.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 329' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -83.32 152.41 25.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 330' ' ' LEU . . . . . 0.942 HD21 HD11 ' C' ' 332' ' ' ILE . 48.8 tp -134.05 145.25 49.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 331' ' ' LYS . . . . . 0.41 ' HE3' ' CZ ' ' D' ' 329' ' ' PHE . 18.2 tttt -128.28 103.76 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.966 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 332' ' ' ILE . . . . . 0.942 HD11 HD21 ' C' ' 330' ' ' LEU . 26.5 mm -97.25 127.4 49.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 333' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -98.82 31.57 2.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 334' ' ' GLY . . . . . 0.551 ' H ' HG22 ' C' ' 332' ' ' ILE . . . -143.84 143.39 12.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.498 179.95 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 335' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -74.74 -46.44 37.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.312 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 336' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -73.04 -42.07 63.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 337' ' ' ARG . . . . . 0.683 ' HG3' HD13 ' D' ' 348' ' ' LEU . 6.2 ttm180 -57.9 -49.18 77.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 179.934 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 338' ' ' PHE . . . . . 0.832 ' CE1' HD13 ' D' ' 330' ' ' LEU . 11.0 t80 -59.28 -46.61 88.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.373 179.652 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 339' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -55.31 -33.12 63.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.554 179.679 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 340' ' ' MET . . . . . 0.469 ' O ' HD12 ' C' ' 344' ' ' LEU . 3.3 ttp -66.73 -59.23 3.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.252 179.465 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 341' ' ' PHE . . . . . 0.504 ' CE2' HD12 ' C' ' 332' ' ' ILE . 5.4 m-85 -59.51 -29.29 67.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 179.639 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 342' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -66.77 -35.91 81.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.199 179.367 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 343' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -79.5 -32.42 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.219 179.291 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 344' ' ' LEU . . . . . 0.792 ' O ' HD12 ' C' ' 348' ' ' LEU . 1.8 mp -74.55 -30.82 61.9 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.424 179.503 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 345' ' ' ASN . . . . . 0.764 ' OD1' HG23 ' D' ' 332' ' ' ILE . 9.4 t30 -73.4 -44.35 58.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.608 179.775 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 346' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -32.98 70.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.789 179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' C' C ' 347' ' ' ALA . . . . . . . . . . . . . . . -76.37 -31.87 58.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.997 179.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 348' ' ' LEU . . . . . 0.792 HD12 ' O ' ' C' ' 344' ' ' LEU . 0.5 OUTLIER -75.65 -27.3 58.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.903 179.915 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' C' C ' 349' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -76.71 -23.04 53.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.866 179.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 350' ' ' LEU . . . . . . . . . . . . . 2.7 mt -77.07 -44.12 31.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 -179.969 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 351' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -69.05 -27.98 66.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.838 -179.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 352' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.06 -30.97 65.68 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.77 179.834 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 353' ' ' ALA . . . . . . . . . . . . . . . -71.27 -31.17 67.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.036 179.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 354' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -67.28 -31.4 71.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 355' ' ' ALA . . . . . . . . . . . . . . . -59.8 -30.79 69.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.065 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' C' C ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.396 -1.224 . . . . 0.0 112.518 -179.993 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 326' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.833 0.349 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' D' D ' 327' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -130.37 152.96 49.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 328' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -148.88 153.06 37.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 329' ' ' PHE . . . . . 0.441 ' N ' ' CD1' ' D' ' 329' ' ' PHE . 4.2 m-85 -124.69 151.22 45.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 180.0 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 330' ' ' LEU . . . . . 0.832 HD13 ' CE1' ' C' ' 338' ' ' PHE . 3.3 tp -153.32 114.09 4.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 331' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -82.28 95.8 7.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 332' ' ' ILE . . . . . 0.764 HG23 ' OD1' ' C' ' 345' ' ' ASN . 4.9 mt -102.18 112.5 35.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.074 179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 333' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -80.72 75.68 7.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 334' ' ' GLY . . . . . . . . . . . . . . . -171.11 128.58 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.424 179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 335' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -75.11 -39.45 60.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 336' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -74.56 -47.05 34.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 337' ' ' ARG . . . . . 0.694 ' CG ' HD13 ' C' ' 348' ' ' LEU . 3.6 ttm180 -57.53 -43.92 84.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.74 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 338' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -61.64 -47.51 85.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.357 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 339' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -55.0 -32.68 61.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.567 179.756 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 340' ' ' MET . . . . . 0.44 ' O ' HD12 ' D' ' 344' ' ' LEU . 1.4 mmm -67.3 -59.37 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.273 179.452 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 341' ' ' PHE . . . . . 0.436 ' CD2' HD13 ' D' ' 332' ' ' ILE . 2.5 m-85 -62.58 -28.35 69.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.783 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 342' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.33 -34.56 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.275 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 343' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -80.85 -32.2 35.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.228 179.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 344' ' ' LEU . . . . . 0.674 ' O ' HD12 ' D' ' 348' ' ' LEU . 1.7 mp -77.2 -30.66 54.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.513 179.581 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 345' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -76.36 -38.88 55.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.689 179.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 346' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -74.18 -31.66 62.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.775 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 347' ' ' ALA . . . . . 0.458 ' HB2' ' NZ ' ' A' ' 351' ' ' LYS . . . -76.9 -32.79 57.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.011 179.925 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 348' ' ' LEU . . . . . 0.683 HD13 ' HG3' ' C' ' 337' ' ' ARG . 0.6 OUTLIER -75.05 -31.5 61.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.716 179.882 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' D' D ' 349' ' ' GLU . . . . . . . . . . . . . 68.3 mt-10 -71.75 -29.77 64.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 179.824 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 350' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.69 -40.34 80.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' D' D ' 351' ' ' LYS . . . . . 0.524 ' CE ' ' HB2' ' A' ' 347' ' ' ALA . 0.1 OUTLIER -70.09 -30.46 67.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.977 179.985 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' D' D ' 352' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -72.16 -32.12 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 353' ' ' ALA . . . . . . . . . . . . . . . -67.71 -31.72 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 354' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -65.79 -38.19 88.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 355' ' ' ALA . . . . . . . . . . . . . . . -89.77 -57.89 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.058 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' D' D ' 356' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.403 -1.221 . . . . 0.0 112.466 -179.962 . . . . . . . . 0 0 . 1 stop_ save_