data_6u19_residue ############################ # Computer software used # ############################ 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 6u19 _Structure_validation_residue.Date_analyzed 2020-03-13 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' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 C--O 1.228 -0.039 0 CA-C-O 120.884 0.374 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.95 -38.49 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.9 mmt -58.89 -20.36 50.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -82.13 1.73 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -130.6 75.08 79.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.062 0.458 . . . . 0.0 110.645 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.5 -33.34 96.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.823 2.348 . . . . 0.0 111.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.34 -45.07 94.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -65.28 -42.92 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.423 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.37 -40.49 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -62.11 -42.28 99.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 96.9 p -64.53 -36.34 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.96 -47.77 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.76 -41.24 99.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.26 -38.16 89.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.15 -37.54 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.365 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.86 141.86 85.09 Favored Pre-proline 0 C--O 1.239 0.514 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.777 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.54 137.27 32.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.403 2.069 . . . . 0.0 112.194 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.95 1.41 84.85 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.8 t -108.57 125.76 65.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.515 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -132.3 148.33 69.29 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.37 -17.81 54.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.858 2.372 . . . . 0.0 112.27 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -83.8 -5.67 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.56 136.11 47.32 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 110.616 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.73 -38.76 92.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.78 96.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.44 -45.25 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -64.65 -40.58 95.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.63 -41.78 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -39.59 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.99 94.59 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 45.8 t -65.46 -46.2 80.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.738 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . 0.536 ' CD1' ' HZ3' ' B' ' 77' ' ' LYS . 59.5 tp -62.22 -43.12 99.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.8 0.333 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.72 -42.35 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.3 97.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.28 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.76 98.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -64.18 -42.48 96.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.49 -47.43 85.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.17 -43.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.423 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.12 -42.87 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -62.58 -42.46 99.57 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . 0.439 ' CE2' ' HG ' ' B' ' 82' ' ' LEU . 28.6 m-85 -65.36 -41.91 93.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.53 -49.08 78.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -67.14 -35.11 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.24 -39.74 95.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.14 -36.98 69.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.943 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 62.8 p -87.02 -9.42 55.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.029 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -124.31 -66.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.38 -151.96 20.21 Favored Glycine 0 N--CA 1.466 0.692 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -100.02 -11.74 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 -17.6 39.64 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -83.25 141.26 31.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.83 -39.1 90.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.27 131.45 42.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.77 136.77 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.0 p -95.36 6.79 48.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -105.69 116.5 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.11 -39.73 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -94.17 60.21 2.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.676 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -150.87 132.15 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.499 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' B' ' 57' ' ' CYS . . . -58.16 160.28 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p 75.81 -20.56 0.35 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' B' ' 55' ' ' ALA . 49.1 t -66.75 123.91 87.15 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 -33.72 27.03 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.645 2.23 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 58.9 p -79.63 -18.95 50.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -92.95 137.53 32.28 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -110.49 146.26 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -56.05 139.74 45.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.405 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 51.4 mmm -125.98 158.45 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.69 174.34 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.194 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.87 -40.27 97.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -74.32 -43.06 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.583 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.05 99.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.429 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.52 87.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.05 91.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.28 -44.96 94.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.13 -40.36 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.042 0.449 . . . . 0.0 110.073 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.47 99.46 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.399 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -44.18 96.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.16 -40.99 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.1 -38.42 86.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -59.9 -44.51 94.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.538 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.536 ' HZ3' ' CD1' ' A' ' 359' ' ' LEU . 57.6 mtpt -59.3 -42.33 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 pt -86.62 -3.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 32.8 m120 52.29 40.41 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.439 ' O ' ' OH ' ' B' ' 36' ' ' TYR . . . -53.99 142.56 24.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.365 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.67 145.24 45.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.726 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.439 ' HG ' ' CE2' ' B' ' 36' ' ' TYR . 1.9 mp . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.228 -0.075 0 CA-C-O 120.821 0.343 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.0 -32.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.126 0.489 . . . . 0.0 110.6 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 23.5 mmt -59.63 -20.7 57.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.576 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.33 -0.62 23.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.645 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -130.37 74.81 79.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.747 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 -35.42 92.12 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.738 2.292 . . . . 0.0 112.097 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.44 -41.91 97.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.977 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -64.98 -44.06 90.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.18 -39.75 93.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.477 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.62 -41.55 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.4 m -61.58 -40.07 93.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.3 -46.05 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.459 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.7 -40.46 97.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.03 -39.6 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.449 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 139.11 85.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.15 0.5 . . . . 0.0 110.505 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.31 136.78 32.37 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.513 2.142 . . . . 0.0 112.302 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.18 0.81 84.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 64.2 t -120.34 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.504 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 349' ' ' ASN . 26.0 m-20 -139.16 152.04 68.9 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.62 -28.93 13.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 114.372 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.75 -24.09 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 346' ' ' ASP . 2.4 m120 -52.56 124.17 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 173.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.81 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.95 91.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.79 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.61 -41.83 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.74 -42.13 98.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.46 -40.16 92.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.25 99.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.71 -38.82 92.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -61.42 -45.79 95.69 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.13 -41.63 90.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.789 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . 0.47 ' CD1' ' HZ2' ' B' ' 77' ' ' LYS . 60.4 tp -63.25 -42.63 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.604 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 -179.688 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.75 -42.74 93.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.29 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.7 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.372 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.36 -45.26 95.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.3 m170 -61.47 -41.65 97.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.37 -51.23 69.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.0 -43.99 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -61.28 -39.62 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.07 -41.57 99.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -66.13 -42.15 89.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.07 -49.29 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -65.81 -40.96 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -62.29 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.03 -38.9 89.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.022 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -82.79 -8.72 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -116.68 -99.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.51 -163.91 27.8 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.82 -13.63 19.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -18.04 40.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.73 136.11 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.51 127.67 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.8 t -145.05 131.3 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.3 t -110.7 62.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.48 125.04 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.04 -39.69 95.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.753 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -101.64 61.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.65 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -159.35 138.64 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 173.04 7.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.488 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m 62.87 16.77 9.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.18 149.1 36.29 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.13 -21.55 67.77 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 C-N-CA 122.915 2.41 . . . . 0.0 112.082 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 80.3 p -99.05 -1.15 40.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -104.75 125.76 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.706 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.86 145.0 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.54 147.5 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.372 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.3 ptp -150.0 171.32 17.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -84.49 179.81 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -70.43 -40.93 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -48.62 80.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.42 95.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 110.326 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.27 90.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.91 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.0 mm -63.13 -46.16 96.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -62.89 -38.96 92.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.128 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.27 97.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.21 -45.08 93.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.211 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.52 -40.61 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.99 -45.58 78.97 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.34 -41.37 93.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.109 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.47 ' HZ2' ' CD1' ' A' ' 359' ' ' LEU . 38.0 ttmt -58.08 -45.17 87.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.299 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 tt -81.68 -9.56 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 t30 55.44 37.1 28.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 141.61 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -74.77 142.96 44.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.09 -38.87 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.213 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.65 -9.12 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.7 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -67.47 -34.48 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.244 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -119.31 86.09 32.41 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.54 -26.28 44.76 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.018 2.479 . . . . 0.0 112.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.8 -39.92 90.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.372 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.06 -47.2 85.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.433 . . . . 0.0 110.205 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.9 -39.44 94.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -61.49 -41.26 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.212 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.3 t -61.31 -41.73 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.89 -40.39 95.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.268 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.05 -39.15 93.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.465 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . 0.427 ' ND2' ' HZ2' ' B' ' 30' ' ' LYS . 99.3 m-20 -60.96 -36.23 78.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.786 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.43 139.98 84.55 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.829 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.52 136.58 31.32 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 121.868 1.712 . . . . 0.0 112.208 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.59 1.59 86.8 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 71.6 t -102.93 124.26 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -129.29 147.66 65.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.735 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -68.94 -20.46 38.77 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.298 1.999 . . . . 0.0 112.155 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.22 -13.63 60.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.49 130.66 45.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -38.89 88.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.13 96.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.53 -46.38 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.28 -40.95 98.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -62.61 -43.0 99.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.79 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.92 -39.75 94.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.313 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.45 97.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.2 p -67.12 -38.69 86.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.92 -44.94 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.65 -41.22 94.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.444 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.95 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.379 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.64 98.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.427 ' HZ2' ' ND2' ' A' ' 341' ' ' ASN . 88.0 tttt -63.52 -43.04 98.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -61.31 -42.49 98.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.544 HD22 ' NH2' ' B' ' 35' ' ' ARG . 78.3 mt -62.81 -46.57 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.517 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.94 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.544 ' NH2' HD22 ' B' ' 32' ' ' LEU . 83.4 mtm180 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.17 -46.64 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.58 -49.23 76.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -64.24 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 0.9 OUTLIER -69.25 -39.1 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 176.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.21 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.8 p -80.73 -55.01 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.31 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.12 -52.82 63.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 -166.24 24.27 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 29.2 p -100.69 -11.89 19.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.582 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.49 -17.95 57.41 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -80.05 120.67 24.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.336 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.84 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.56 132.99 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.1 p -96.35 5.0 51.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.97 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -103.05 118.14 36.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.191 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.84 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.298 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.45 59.08 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.505 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -157.56 140.46 15.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.729 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 163.44 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.99 0.424 . . . . 0.0 110.383 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.06 18.92 2.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.592 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.487 ' SG ' ' OG1' ' B' ' 59' ' ' THR . 0.1 OUTLIER -116.38 151.72 47.23 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.129 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.98 -31.6 46.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.448 2.098 . . . . 0.0 112.451 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.487 ' OG1' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -75.33 8.16 2.95 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 120.596 3.554 . . . . 0.0 120.596 167.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -125.09 127.55 47.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -172.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.84 144.25 40.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.208 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.62 141.82 58.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.385 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.8 ptp -148.13 170.1 18.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.718 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.59 163.27 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.41 -39.92 89.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.527 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -61.84 -49.93 74.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.358 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.91 91.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.315 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.19 91.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.9 mm -63.84 -44.78 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -61.71 -42.19 98.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.18 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.53 -43.55 98.54 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.31 -39.49 93.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.61 -40.96 93.76 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.379 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.15 -44.7 94.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.919 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 pt -85.81 -1.83 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 54.56 40.4 31.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.265 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.31 141.39 24.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.01 144.35 47.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.033 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.943 0.401 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.34 -30.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.467 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.0 mmt -59.21 -26.19 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.46 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -71.47 -6.0 37.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.591 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -125.49 67.63 57.92 Favored Pre-proline 0 C--O 1.238 0.451 0 CA-C-O 121.325 0.583 . . . . 0.0 110.193 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.32 -29.53 72.67 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.642 2.228 . . . . 0.0 112.133 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.11 -45.13 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.98 -44.19 93.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.185 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.05 -39.53 92.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.784 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.82 -41.47 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.44 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 70.5 m -61.37 -41.23 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.69 -45.14 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.693 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.6 -40.74 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.34 -38.03 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -59.02 -38.29 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.211 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.2 mt -57.52 141.94 77.86 Favored Pre-proline 0 N--CA 1.448 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.861 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.55 136.39 33.43 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.417 2.078 . . . . 0.0 112.389 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.9 84.96 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.13 124.63 69.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.276 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -136.87 149.38 66.55 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.64 -19.77 59.91 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.707 2.271 . . . . 0.0 112.252 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -71.5 -17.53 62.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 132.97 54.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.519 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.46 -36.3 82.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.306 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.68 96.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.01 -46.92 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.819 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.73 -45.8 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.28 -38.42 91.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.0 97.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.12 -39.21 92.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.35 97.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 72.5 m -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.35 -45.16 94.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.023 0.44 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.84 -41.93 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.0 98.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.46 98.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -44.41 97.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.54 -43.6 96.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.47 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.48 -39.5 94.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -62.78 -42.92 99.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -66.25 -42.85 88.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -62.31 -50.01 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -63.4 -40.85 98.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . 0.434 ' NE2' HD23 ' B' ' 82' ' ' LEU . 37.8 tt0 -62.02 -38.61 89.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.799 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.68 -39.08 70.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.054 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.1 p -80.58 -13.99 58.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.954 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -118.04 -70.63 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.52 -152.04 18.2 Favored Glycine 0 N--CA 1.468 0.802 0 N-CA-C 105.015 -3.234 . . . . 0.0 105.015 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 p -99.18 -13.03 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.604 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.22 -18.61 47.69 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.85 143.35 49.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -61.87 -18.48 60.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.5 150.13 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 49.8 t -141.66 137.0 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.463 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -93.04 2.6 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -97.67 118.68 34.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.7 OUTLIER -60.47 -38.87 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.393 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -94.37 59.89 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.2 t -154.07 139.51 17.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.5 161.95 28.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.62 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 151.26 42.02 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.54 -25.15 35.18 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.849 2.366 . . . . 0.0 112.39 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -88.76 16.82 6.22 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 172.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -139.43 124.54 18.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -170.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -102.47 132.42 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.451 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -45.92 136.17 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mmt -114.02 147.75 38.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.97 179.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.117 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.37 -40.67 97.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.715 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.78 -43.55 54.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.5 91.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.48 -37.69 74.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.62 -45.37 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.292 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.248 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.39 -44.65 95.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.96 -40.87 91.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.534 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.42 -41.58 98.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -45.55 94.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -56.43 -46.88 80.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 19.2 pt -82.4 -7.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 52.72 41.65 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.702 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.61 138.38 34.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -59.77 144.64 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.631 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.434 HD23 ' NE2' ' B' ' 39' ' ' GLN . 76.2 mt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.24 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.29 -23.75 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -84.75 3.58 36.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.78 73.53 54.18 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.987 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.35 -27.61 71.49 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.363 2.042 . . . . 0.0 112.167 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.34 -44.39 96.6 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -67.08 -44.04 81.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.406 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.52 -39.63 94.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -61.6 -41.69 97.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.6 m -62.04 -41.12 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.37 -44.29 98.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.19 -41.04 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.486 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.41 -39.83 95.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -59.38 -36.76 76.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.108 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.01 144.15 69.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.059 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.72 137.17 34.93 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.114 1.876 . . . . 0.0 112.432 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 73.99 8.14 77.64 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.0 t -111.67 124.32 68.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -130.73 147.93 68.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.78 -20.13 46.29 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -81.26 -0.96 43.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' B' ' 66' ' ' ASN . 48.2 t30 -69.36 133.64 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.404 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.13 -38.12 85.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.315 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.82 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.34 -46.27 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.4 -39.78 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.81 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.0 mmt -64.42 -38.99 92.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.381 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.31 97.95 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.656 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.89 -45.23 90.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 179.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.702 0.287 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.48 -42.53 99.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.711 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.43 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.51 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.49 -43.18 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -61.58 -41.5 97.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.1 -45.22 93.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.813 0.34 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.6 -44.15 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.191 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -62.31 -42.17 99.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.72 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . 0.534 ' CE2' HD22 ' B' ' 82' ' ' LEU . 23.6 m-85 -65.65 -41.62 92.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.491 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -61.55 -49.18 77.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.37 -39.05 88.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.646 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.42 ' CD1' ' CZ ' ' B' ' 60' ' ' PHE . 59.1 tp -66.93 -44.82 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -72.34 -27.44 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.38 -77.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.913 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.29 -149.11 18.85 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 107.518 -2.233 . . . . 0.0 107.518 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -99.52 -8.95 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.47 -17.84 56.39 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.44 147.47 50.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -61.85 -39.91 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.31 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.61 131.26 41.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.263 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 52.3 t -123.63 129.11 50.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -95.19 56.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -146.59 126.42 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.77 -41.52 97.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.33 60.04 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.715 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 12.2 t -171.53 143.82 1.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.96 -178.75 2.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.016 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.53 9.98 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.14 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.468 ' SG ' ' OG1' ' B' ' 59' ' ' THR . 52.7 t -105.56 120.13 50.39 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.84 -34.95 23.13 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.257 1.971 . . . . 0.0 112.659 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.468 ' OG1' ' SG ' ' B' ' 57' ' ' CYS . 73.2 p -70.01 -24.3 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.797 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' B' ' 40' ' ' LEU . 80.4 t80 -102.25 134.0 46.24 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -107.83 146.34 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -55.75 138.59 47.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.26 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 67.4 mmm -120.15 157.65 28.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.544 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -72.82 171.32 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.91 -43.08 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . 0.465 ' HB3' ' ND2' ' A' ' 349' ' ' ASN . 11.2 m-80 -66.73 -45.75 77.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 110.803 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.0 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.769 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.25 89.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.084 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.4 mm -64.96 -44.97 96.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.0 110.406 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -64.51 -39.62 94.12 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.06 96.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.77 -44.09 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.437 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.28 -39.48 93.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.78 -42.22 97.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.94 0.4 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.27 -45.16 94.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.15 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -56.26 -47.24 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.363 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -81.99 -4.59 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.635 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.14 41.22 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.77 29.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.029 0.443 . . . . 0.0 110.198 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.59 144.03 46.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.777 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' B' ' 36' ' ' TYR . 80.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.087 0.47 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.71 -39.39 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.08 -9.99 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.58 -28.18 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.58 84.51 30.29 Favored Pre-proline 0 C--O 1.237 0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -33.05 83.66 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.827 2.351 . . . . 0.0 111.806 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.08 -41.38 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.067 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . 0.43 ' O ' ' OG ' ' A' ' 337' ' ' SER . 73.6 t80 -61.8 -45.44 93.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.441 . . . . 0.0 109.921 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.59 -40.04 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.51 -41.52 98.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 334' ' ' PHE . 94.1 p -62.67 -35.33 79.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.658 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.82 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.097 0.475 . . . . 0.0 110.167 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.26 -41.75 98.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.02 -39.18 93.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.64 -37.85 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.29 142.37 86.46 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.182 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 136.96 31.86 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.995 1.797 . . . . 0.0 112.332 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.03 2.88 87.76 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.03 126.39 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.368 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -130.92 148.59 70.83 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.12 -18.77 51.39 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.539 2.16 . . . . 0.0 112.137 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -78.72 -0.17 29.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.88 135.93 43.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.056 0.455 . . . . 0.0 110.288 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -64.89 -37.82 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.468 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.62 97.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.816 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.53 -43.99 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -60.17 -46.88 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.501 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.71 -38.73 91.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.69 97.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -39.54 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.68 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.19 -43.98 97.79 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 88.9 p -66.98 -39.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.75 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.98 -44.35 96.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.426 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.72 0.295 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.47 -42.87 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.31 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.22 97.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.3 95.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -63.92 -43.26 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.82 -45.39 94.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.869 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -42.12 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.725 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.18 -42.72 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.15 -39.9 94.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.45 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.06 -42.74 99.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -66.43 -41.37 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.95 -50.02 75.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -70.0 -35.17 74.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.005 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.28 -39.25 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.977 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.89 -41.07 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.283 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 73.8 p -75.45 -29.81 59.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -98.23 -58.92 1.86 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -173.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.88 -162.25 20.27 Favored Glycine 0 N--CA 1.472 1.056 0 N-CA-C 103.185 -3.966 . . . . 0.0 103.185 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -99.42 -13.14 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.99 46.82 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.15 144.6 46.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.533 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.94 -39.38 94.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.41 137.04 52.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.1 t -134.95 130.79 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.174 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 74.0 p -87.79 -0.16 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -95.45 116.27 28.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.21 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -89.53 58.81 4.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -155.34 142.47 19.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.413 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.71 172.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.085 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m 63.71 20.51 12.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.352 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.478 ' SG ' ' OG1' ' B' ' 59' ' ' THR . 0.5 OUTLIER -114.76 151.24 45.2 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.408 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.19 -20.78 55.98 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.478 ' OG1' ' SG ' ' B' ' 57' ' ' CYS . 60.5 p -94.04 16.68 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -148.82 125.61 11.18 Favored 'General case' 0 CA--C 1.454 -2.736 0 CA-C-O 122.275 1.036 . . . . 0.0 108.28 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.64 150.9 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.206 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -57.56 136.22 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.28 160.37 34.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.877 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.18 178.46 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.231 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.69 -42.21 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -63.05 -49.19 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.408 0.623 . . . . 0.0 110.622 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.73 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.285 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.41 90.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.93 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.28 -44.44 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -62.45 -40.14 95.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.899 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.88 -45.04 91.18 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.27 -39.77 93.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.11 -43.19 99.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.546 0.688 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.25 -45.79 91.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.099 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.86 -48.37 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -79.04 -9.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.594 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 54.42 36.84 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.59 143.28 25.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.05 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -67.22 142.74 56.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.529 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.731 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.98 -38.93 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.75 -3.79 3.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -123.22 82.42 51.87 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-O 121.154 0.502 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.5 -35.09 91.63 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.842 2.361 . . . . 0.0 111.374 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.57 -39.2 92.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -62.15 -45.2 94.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.023 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -39.81 92.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.686 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.85 -40.77 96.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 71.3 m -60.9 -39.61 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.25 -45.16 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.228 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.07 -40.23 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.95 -38.86 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.07 -39.25 85.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.194 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.87 135.18 79.4 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.972 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.0 137.82 32.62 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.256 1.971 . . . . 0.0 112.702 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.35 1.76 86.52 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 65.6 t -112.99 123.73 68.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.241 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -135.37 152.62 76.96 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.839 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.0 -25.5 79.81 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.63 2.22 . . . . 0.0 112.079 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.0 -15.41 62.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -66.01 134.66 53.36 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.004 0.43 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.34 87.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.43 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.21 -43.99 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -61.64 -45.66 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.439 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.05 -38.29 90.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.58 -38.98 91.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.05 98.19 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 71.7 m -65.64 -41.11 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.03 -44.94 95.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.711 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.372 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.88 92.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.68 98.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.42 -44.85 96.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.62 -45.76 92.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.441 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.12 -44.48 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.63 -40.86 96.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.327 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -62.83 -41.63 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.77 -42.66 94.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -60.77 -49.28 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.717 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' B' ' 42' ' ' GLU . 41.1 m170 -67.79 -33.72 75.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.12 -37.9 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.469 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.55 -38.53 77.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.23 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -87.82 -11.19 48.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.267 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 38' ' ' HIS . 71.6 mm-40 -121.68 -67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.33 -152.58 20.96 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 174.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 p -99.34 -13.47 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 -18.16 42.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -81.05 142.89 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.07 -38.69 87.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.62 42.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -145.69 135.83 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.344 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.0 p -92.73 2.73 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -104.93 114.23 28.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -59.95 -38.65 83.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.229 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -92.46 59.45 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 50.9 t -150.53 134.84 17.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' B' ' 57' ' ' CYS . . . -58.69 159.71 6.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p 76.31 -21.17 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.047 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.505 ' H ' ' C ' ' B' ' 55' ' ' ALA . 47.3 t -65.51 127.47 93.01 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -50.13 -36.12 44.6 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.448 2.099 . . . . 0.0 112.295 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.6 p -76.91 -17.38 58.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -91.37 132.03 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.94 145.95 33.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.26 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -61.22 143.87 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.309 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ptp -147.9 171.36 15.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.68 169.3 17.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -35.39 78.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -64.39 -49.36 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.44 95.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.206 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.97 96.18 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.418 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.32 95.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.95 -47.25 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -64.06 -40.09 95.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.62 97.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.28 -44.66 94.43 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.33 -40.01 93.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.495 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.36 -42.34 95.58 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 123.248 0.343 . . . . 0.0 110.658 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.1 -45.12 96.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.197 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -57.24 -46.22 83.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.756 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.39 -2.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 57.43 38.94 28.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.37 142.62 21.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -70.19 145.3 51.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.49 -39.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.3 -35.04 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -71.38 2.49 4.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -128.48 76.83 78.03 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.43 -31.9 92.54 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.645 2.23 . . . . 0.0 111.92 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.4 -43.57 98.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -66.36 -42.96 87.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.54 -39.49 93.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.595 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.47 -43.04 99.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.266 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 91.0 p -63.4 -37.9 89.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.02 -45.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.92 -39.42 94.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.57 -39.84 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.567 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.02 -41.5 96.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.674 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 95.6 mt -45.28 107.64 0.67 Allowed Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.39 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.59 140.57 90.25 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.788 1.659 . . . . 0.0 112.095 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.79 2.64 90.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 66.4 t -125.43 129.6 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.446 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 92.8 m-20 -125.77 148.51 62.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.811 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -19.94 54.42 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.446 2.097 . . . . 0.0 112.092 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.61 -12.97 60.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.703 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 98.6 m-20 -65.43 141.24 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.006 0.432 . . . . 0.0 110.358 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -64.32 -37.73 88.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.49 97.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.68 -44.95 96.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.934 0.397 . . . . 0.0 110.551 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.72 -39.84 95.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.2 mmt -64.7 -39.37 93.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.413 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.97 98.33 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.6 m -64.99 -40.24 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.61 -44.34 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.702 -179.649 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -62.56 -42.41 99.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.96 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.11 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.381 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.28 -44.4 95.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.685 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -60.79 -45.0 96.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.748 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.25 -48.09 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.82 -44.53 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.925 0.393 . . . . 0.0 110.143 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.99 -40.22 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.219 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -61.27 -42.02 97.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.77 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -66.22 -42.6 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.04 -45.69 91.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . 0.407 ' OE1' HD21 ' B' ' 82' ' ' LEU . 63.1 tt0 -63.56 -38.92 92.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.53 -39.92 85.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.893 0.378 . . . . 0.0 110.994 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 75.7 p -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -127.5 -80.98 0.6 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.801 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.8 -151.76 20.77 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -98.58 -12.77 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.816 0.341 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.81 49.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -72.38 142.28 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.13 -39.54 92.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.471 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.72 131.51 54.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.43 127.74 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -100.16 10.22 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -97.31 119.22 35.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -60.46 -39.16 86.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.538 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -93.51 59.39 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -158.01 139.51 13.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.326 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.04 171.94 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.247 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 m 63.69 19.75 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.066 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 40.9 t -106.73 131.38 21.75 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -47.88 -36.49 26.94 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.951 1.767 . . . . 0.0 112.405 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.29 -19.09 54.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -87.81 130.98 34.69 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -99.38 132.56 44.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.192 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -57.67 140.51 51.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.9 162.02 30.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.839 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.09 171.91 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.914 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' B' ' 66' ' ' ASN . 0.3 OUTLIER -64.38 -46.56 82.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.107 0.48 . . . . 0.0 110.289 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.23 90.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.318 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.49 89.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.91 95.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.9 mm -66.18 -43.15 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -62.57 -39.96 95.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.789 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.15 98.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.244 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.26 -44.23 95.73 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -40.64 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.38 -32.91 74.72 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.75 -41.89 91.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.04 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -42.52 84.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 pt -92.21 -6.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 52.88 39.15 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.096 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.2 142.73 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -73.34 145.23 46.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.487 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.407 HD21 ' OE1' ' B' ' 39' ' ' GLN . 2.6 mp . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.888 0.375 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.71 -39.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 23.5 mmt -60.47 -34.66 74.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.36 -0.38 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -125.69 69.27 63.28 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.28 -29.47 73.03 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.525 2.15 . . . . 0.0 112.123 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.73 -45.54 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.298 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.9 -43.84 91.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.309 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.72 -39.97 93.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.658 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.37 -42.29 98.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.409 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.5 t -61.14 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -44.74 99.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.151 0.5 . . . . 0.0 110.399 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.34 -41.65 97.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.281 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.44 -37.08 86.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.281 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.8 -38.84 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.279 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.58 144.34 72.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.989 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.69 135.31 30.3 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.196 1.931 . . . . 0.0 112.379 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 76.45 7.26 85.16 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.3 t -113.44 124.66 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.368 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -135.95 149.2 67.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.972 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.53 -18.04 58.58 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.605 2.204 . . . . 0.0 112.083 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.68 -9.91 59.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -71.16 138.07 49.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.993 0.425 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.08 -37.23 85.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.89 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.57 -43.61 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.674 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -39.3 93.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.42 96.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.71 -39.22 93.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.33 97.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 97.1 p -68.79 -36.67 78.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.55 -45.14 89.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.994 0.426 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -60.02 -43.5 95.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.538 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.12 97.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.522 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.63 98.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -41.83 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.15 -43.79 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -61.54 -42.51 98.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.35 -45.87 91.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.697 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.55 -43.98 98.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.371 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.93 -43.28 98.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.36 -42.07 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -63.95 -41.33 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -60.49 -48.46 81.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.575 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -62.62 -41.87 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -62.38 -37.35 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 111.628 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.55 -39.32 88.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.1 p -88.73 -10.19 49.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -123.5 -71.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.91 -141.42 16.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 105.6 -3.0 . . . . 0.0 105.6 172.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 p -99.59 -10.61 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.95 -17.59 56.26 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.67 144.19 55.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.38 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.2 -39.57 93.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.98 128.32 38.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -134.7 133.02 39.56 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -103.06 77.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -147.17 132.59 18.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.78 -39.53 94.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -105.69 64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -168.4 138.31 2.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.486 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 178.42 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.006 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m 63.12 15.99 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 96.6 m -103.14 148.12 35.17 Favored Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.33 -18.23 49.92 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.669 2.246 . . . . 0.0 112.254 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 p -101.81 0.3 35.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -104.96 126.94 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.72 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.39 131.49 51.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.036 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -47.6 139.72 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtt -127.79 154.33 45.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.157 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.25 173.85 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.102 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -61.41 -43.46 98.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.66 -45.86 81.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.531 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.52 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.243 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.02 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.38 89.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.78 -46.19 95.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -64.1 -39.79 94.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.32 96.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.965 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.01 -43.59 98.52 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -39.3 93.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.426 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.91 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.562 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -64.35 -47.2 80.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.162 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -59.91 -47.95 83.7 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -80.1 -9.35 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.25 38.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.49 143.75 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.73 144.29 50.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.559 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.687 -179.859 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.86 -39.93 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.53 -35.03 75.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.389 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.68 0.93 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.45 66.03 61.33 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.482 . . . . 0.0 110.107 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.32 -29.3 63.45 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.565 2.177 . . . . 0.0 112.222 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.28 -45.95 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.117 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -66.03 -42.44 89.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.11 -40.31 93.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.741 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.35 -42.28 98.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -62.63 -40.78 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -46.23 96.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.22 -41.66 98.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.67 -38.67 89.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.512 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.26 141.77 76.77 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.978 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.168 1.912 . . . . 0.0 112.355 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.55 3.48 86.61 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.78 124.98 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.44 149.02 71.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.98 -17.93 51.67 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.626 2.217 . . . . 0.0 112.163 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.15 -9.45 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.628 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -66.07 137.2 56.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.124 0.488 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -65.58 -37.06 85.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.3 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.43 -44.85 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.698 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.27 -47.37 86.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.7 99.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.7 mmt -64.34 -39.1 93.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.82 98.59 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.7 t -63.89 -43.24 96.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.954 0.407 . . . . 0.0 110.454 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.88 -43.44 98.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.262 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 -179.622 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.236 0.541 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -63.01 -40.42 97.71 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.98 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.6 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.65 91.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.375 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.45 -44.35 95.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.36 -41.03 96.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.547 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.39 -50.86 68.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.155 0.503 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 33' ' ' ILE . 82.7 mt -60.49 -42.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.275 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.69 -40.58 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.81 -41.17 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.574 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' B' ' 82' ' ' LEU . 46.5 m-85 -66.89 -39.68 87.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.96 -48.31 82.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.187 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -62.54 -40.6 97.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.284 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.53 -39.75 94.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 111.295 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.73 -38.47 67.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.479 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 72.0 p -85.05 -4.39 59.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.109 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -145.5 -64.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.217 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.3 -132.27 11.18 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 106.869 -2.493 . . . . 0.0 106.869 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -104.94 -14.19 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.14 -17.89 30.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.773 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -39.36 87.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.705 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.73 126.88 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -149.12 138.41 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 73.7 p -97.38 7.02 47.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -106.74 114.52 28.66 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.13 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.62 -39.39 88.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -93.29 59.39 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.22 135.47 17.97 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.976 0.417 . . . . 0.0 110.912 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' B' ' 57' ' ' CYS . . . -55.67 165.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p 67.17 -4.76 0.79 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.444 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.5 ' H ' ' C ' ' B' ' 55' ' ' ALA . 48.5 t -86.15 128.31 58.22 Favored Pre-proline 0 CA--C 1.513 -0.461 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.7 -26.28 16.99 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.344 2.029 . . . . 0.0 112.447 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 79.5 p -88.32 9.77 22.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -135.75 131.62 35.78 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -170.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.32 149.51 29.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -53.02 141.88 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.2 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 77.3 mmm -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.819 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.54 171.13 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.845 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.4 -40.22 95.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -73.31 -44.5 58.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.471 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.19 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.14 90.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.1 mm -64.23 -46.68 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.05 -38.8 92.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.13 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.01 -45.43 89.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.575 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.51 -37.59 85.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.803 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.34 -39.44 89.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.15 -44.78 94.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.026 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -55.26 -48.26 74.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.6 -3.37 6.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.659 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.45 40.99 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 140.66 20.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.026 0.441 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.38 144.39 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.913 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' B' ' 36' ' ' TYR . 82.8 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.784 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.862 0.363 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.01 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 331' ' ' ASP . 22.3 mmt -60.72 -35.34 76.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -72.1 6.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 329' ' ' MET . 58.6 m-20 -130.7 75.32 79.0 Favored Pre-proline 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.88 -34.36 96.85 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.794 2.33 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.33 -44.41 95.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.795 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.26 -45.69 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.85 -39.77 94.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.8 -42.4 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 46.9 t -60.66 -43.65 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.88 -45.34 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.64 -38.98 89.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -39.54 94.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.08 -41.52 96.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 7.5 mp -47.99 110.88 1.52 Allowed Pre-proline 0 N--CA 1.447 -0.612 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.3 137.64 71.59 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.275 1.983 . . . . 0.0 112.212 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.22 88.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.93 125.95 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -130.56 148.69 71.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.88 -21.47 57.4 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.727 2.284 . . . . 0.0 112.21 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -71.65 -15.28 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.14 140.65 58.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -65.2 -30.49 71.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.15 99.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.328 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.67 -44.32 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.88 -45.94 92.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.771 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.58 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.09 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 35.9 mmt -64.08 -39.2 93.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.546 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.36 -43.76 98.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 94.8 p -67.51 -35.67 79.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.508 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . 0.575 ' CD1' ' HZ2' ' B' ' 77' ' ' LYS . 61.7 tp -59.08 -45.02 91.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.899 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.2 -42.27 99.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.9 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.11 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.1 99.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.84 -41.94 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.11 -43.14 99.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.662 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.81 -45.38 94.08 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.51 -43.65 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.273 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -42.36 99.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.93 -43.33 99.07 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.81 -44.38 90.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.5 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.16 -48.12 79.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.915 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.14 -47.53 85.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -35.71 79.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.26 -45.57 76.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.77 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -28.04 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -103.14 -78.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -155.26 22.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 108.25 -1.94 . . . . 0.0 108.25 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 p -98.25 -12.75 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.08 -18.6 39.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -72.19 142.03 49.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.579 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.74 -39.12 93.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.7 134.89 53.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.3 t -138.11 127.66 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 79.0 p -103.94 10.1 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -95.2 115.53 27.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.23 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.73 59.91 2.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.571 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.08 141.65 16.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.63 172.46 10.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.268 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.49 17.77 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.6 t -105.28 131.98 21.28 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -46.77 -36.65 19.89 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.452 2.101 . . . . 0.0 112.371 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.5 p -79.6 -19.94 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.794 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.11 131.3 34.75 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 116.536 2.051 . . . . 0.0 116.536 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.99 146.28 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -60.75 140.17 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.86 164.58 24.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.746 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.92 166.57 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.599 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.63 -40.67 97.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -46.86 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 110.288 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.57 97.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.144 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.38 90.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.205 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.79 91.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.71 -45.04 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -62.74 -39.54 94.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.002 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.43 -43.66 98.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.32 -39.02 93.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.5 -40.22 90.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.186 0.517 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.44 -46.11 87.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.284 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' A' ' 359' ' ' LEU . 13.3 ttmm -58.68 -46.65 86.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.556 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.32 -11.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 59.3 t30 56.62 37.86 29.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.255 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.46 140.28 34.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.04 140.02 54.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.871 179.763 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 66.3 t0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.024 0.44 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.67 -41.3 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.61 -24.77 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -88.77 11.73 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.08 76.46 79.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.32 -37.11 97.47 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.79 2.327 . . . . 0.0 111.979 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -41.69 98.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.54 -44.84 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.86 -40.03 96.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.96 -41.38 97.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -61.2 -39.29 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.04 -44.1 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 0.0 110.539 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.52 -40.46 94.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.333 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.77 88.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -59.99 -39.79 86.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.13 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.15 138.6 94.42 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.21 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.57 137.28 30.05 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.059 1.84 . . . . 0.0 112.773 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.22 2.13 86.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.74 124.11 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.84 0.352 . . . . 0.0 110.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -145.24 153.92 53.16 Favored Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.763 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.17 -22.14 63.09 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.816 2.344 . . . . 0.0 112.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.22 -19.04 63.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.545 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.27 127.39 32.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.337 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.1 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.38 -45.1 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -60.75 -45.95 92.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.62 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.56 -40.57 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.8 mmt -65.14 -39.3 92.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.97 96.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.7 t -64.58 -43.32 94.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.892 0.377 . . . . 0.0 110.406 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.88 88.79 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.475 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -59.28 -46.81 87.54 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.212 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.46 95.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.375 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.453 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.94 93.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.05 -43.15 93.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -63.91 -42.12 97.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.41 -45.32 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.544 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.12 -44.79 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.35 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.419 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.6 tt0 -62.13 -43.67 98.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 39' ' ' GLN . 99.1 mtt180 -62.72 -41.92 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . 0.447 ' CE2' HD22 ' B' ' 82' ' ' LEU . 19.9 m-85 -63.52 -43.01 98.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.37 -49.79 74.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.762 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 78.5 m-70 -65.18 -38.73 91.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 28.0 tp60 -63.17 -40.08 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.23 -43.12 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.5 p -71.85 -29.62 64.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -101.04 -81.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.51 -164.44 22.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 5.1 p -99.48 -9.58 23.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -18.32 57.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.69 139.17 57.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.349 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -63.42 -39.77 95.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.58 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.94 84.19 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.71 137.45 58.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -97.72 7.57 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -103.88 123.59 47.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.182 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.6 -39.67 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -91.52 59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -163.45 144.99 9.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.528 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.02 176.12 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.045 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m 64.55 16.83 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.04 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.13 130.13 24.91 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.0 -37.01 21.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.413 2.076 . . . . 0.0 112.417 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.08 -13.56 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.682 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.96 121.8 42.4 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.577 3.151 . . . . 0.0 109.592 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -109.14 140.4 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.375 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.62 136.47 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -129.03 163.74 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.956 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 167.94 15.63 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -45.63 93.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.731 176.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -48.16 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.689 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.9 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.13 77.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.99 94.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.62 -46.35 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.277 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.12 -39.38 92.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.016 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.63 97.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.142 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.54 -44.01 95.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.51 -40.49 97.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.77 -40.16 91.48 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.236 0.335 . . . . 0.0 110.117 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.12 -41.84 97.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -57.71 -44.21 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.446 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.13 -2.33 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.705 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 52.23 40.53 29.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.336 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.425 ' O ' ' OH ' ' B' ' 36' ' ' TYR . . . -53.2 138.69 31.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.64 144.28 51.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' B' ' 36' ' ' TYR . 78.3 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.99 -35.52 65.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 24.6 mmt -58.47 -34.36 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.08 1.91 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -129.79 74.43 80.68 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.683 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.39 -33.66 96.62 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.753 2.302 . . . . 0.0 112.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.19 -45.76 92.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.076 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.83 -45.2 93.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.64 -40.08 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -41.77 98.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.32 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 72.8 m -62.36 -41.45 98.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.18 -41.79 98.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -38.63 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.479 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.84 -36.99 77.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.387 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 93.2 mt -59.98 140.89 90.24 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.49 137.5 36.38 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.894 1.729 . . . . 0.0 112.242 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.55 1.18 86.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.88 125.83 69.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.687 0.279 . . . . 0.0 110.53 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . 0.454 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 96.9 m-20 -134.44 149.26 70.61 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.05 -22.39 62.23 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.357 2.038 . . . . 0.0 112.111 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.97 -14.82 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . 0.454 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 99.0 m-20 -64.06 135.89 56.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.098 0.475 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -64.41 -37.25 86.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.46 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.28 -44.33 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.19 -47.28 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.13 -40.26 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.85 99.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -39.78 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.665 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.73 96.39 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.5 m -65.68 -41.92 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.9 -44.15 93.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.221 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.36 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -62.95 -41.18 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.39 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.71 95.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.42 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -63.22 -42.68 99.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -46.37 89.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.46 -43.76 98.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.77 -44.95 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.243 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.407 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.1 tt0 -61.31 -43.53 98.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.995 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . 0.468 ' CE2' HD22 ' B' ' 82' ' ' LEU . 20.3 m-85 -65.23 -40.28 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.322 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -62.52 -49.62 74.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 84.4 m-70 -64.54 -41.94 96.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -65.06 -42.25 94.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.456 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -68.82 -42.66 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -71.26 -29.32 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -105.43 -76.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.47 -153.96 22.26 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -98.71 -12.63 20.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.682 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.82 -18.12 49.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -71.64 138.93 49.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.622 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.25 -39.75 95.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.552 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.9 126.19 53.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -141.97 129.37 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -113.2 68.68 0.68 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -147.29 125.66 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -62.75 -38.81 92.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.52 60.24 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.636 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 t -162.8 136.97 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 173.19 10.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.457 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.4 m 63.7 18.61 11.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.988 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 90.0 m -100.91 150.48 37.08 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.191 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.93 -32.43 47.48 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.144 1.896 . . . . 0.0 112.477 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.4 p -92.97 12.67 23.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.058 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -113.14 125.93 54.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 -172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -113.44 138.5 50.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -53.34 128.13 27.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.64 167.93 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.641 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.99 169.4 18.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.88 -41.03 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.732 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -45.0 72.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.035 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.65 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.034 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.144 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.56 92.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.59 -44.35 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.52 -40.9 98.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.324 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.28 -43.49 97.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.22 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.03 -39.55 95.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.22 -36.67 84.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.243 0.544 . . . . 0.0 110.176 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.4 -49.08 79.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.636 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -69.07 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.692 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 tt -81.21 -9.46 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.45 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 55.17 39.01 31.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.293 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.71 140.14 36.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -71.03 143.06 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.761 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . 0.468 HD22 ' CE2' ' B' ' 36' ' ' TYR . 86.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.81 179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.776 0.322 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.42 -41.82 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 329' ' ' MET . . . . . 0.432 ' C ' ' H ' ' A' ' 331' ' ' ASP . 21.2 mmt -60.63 -35.96 77.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.518 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.36 5.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.047 0.451 . . . . 0.0 110.356 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 329' ' ' MET . 55.5 m-20 -129.01 75.82 79.95 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.55 -36.57 97.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.764 2.31 . . . . 0.0 111.893 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -62.14 -41.4 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.27 -48.1 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.61 -40.12 96.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.0 m -61.23 -42.46 98.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.673 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.46 -45.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.415 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.75 -38.03 89.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.546 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -59.2 -37.97 78.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.991 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.8 mt -58.47 142.96 81.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.012 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.5 135.52 31.28 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.129 1.886 . . . . 0.0 112.575 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.64 2.46 85.34 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.0 124.96 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.358 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -134.4 148.5 67.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.48 -19.92 48.36 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.489 2.126 . . . . 0.0 112.257 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.09 -4.66 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.74 138.79 50.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.38 -38.94 91.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.44 92.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.839 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.21 -42.61 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.629 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.29 -47.23 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.786 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.99 -39.72 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.22 98.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -39.46 94.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.09 -43.36 98.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 92.3 p -64.86 -38.49 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.63 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.86 -44.55 92.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.423 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 -179.427 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.99 0.424 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.59 -42.09 99.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.79 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.64 99.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -44.33 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -61.44 -42.92 99.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.46 -44.93 95.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.797 0.332 . . . . 0.0 110.115 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.69 -45.43 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.603 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.51 -44.72 93.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.07 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -64.81 -43.63 92.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.698 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.61 -49.63 74.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.642 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -66.89 -35.27 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.368 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.15 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.899 0.381 . . . . 0.0 111.443 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.2 -39.13 68.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.091 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 59.6 p -82.12 -16.06 51.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.48 -63.81 1.4 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -174.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -165.88 15.52 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 106.516 -2.634 . . . . 0.0 106.516 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.14 -13.28 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.61 -18.24 44.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.09 138.44 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -39.79 95.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.28 125.56 45.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.1 t -150.53 131.24 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 8.6 t -86.0 66.37 9.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.648 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -141.57 113.84 8.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -12.95 61.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.48 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.68 59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' B' ' 57' ' ' CYS . 0.4 OUTLIER -161.33 139.62 9.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.146 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 165.83 23.27 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.439 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.77 14.24 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.357 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' B' ' 54' ' ' CYS . 6.6 p -127.14 147.11 60.43 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.377 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.9 -21.29 44.11 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.623 2.216 . . . . 0.0 112.363 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.461 ' H ' HG21 ' B' ' 59' ' ' THR . 1.4 p -71.04 -21.94 62.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.721 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -133.46 132.66 41.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.479 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.68 148.75 24.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -56.32 136.49 53.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.212 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.3 tpp -125.35 172.0 9.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 166.98 22.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.049 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.96 -41.33 99.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.356 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.32 -47.42 82.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.87 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.319 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.96 91.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.311 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mm -63.76 -45.14 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.243 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.18 -39.9 94.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.381 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.16 96.25 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.67 -45.25 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.25 -39.97 86.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.811 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.5 -40.47 96.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.072 0.463 . . . . 0.0 110.174 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -62.15 -46.25 89.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.208 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -57.81 -48.36 79.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.74 -11.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.614 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.8 37.65 28.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.15 141.34 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.69 146.76 39.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.624 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 -179.592 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.915 0.388 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 80.6 t -68.3 -38.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 26.0 mmt -64.62 -11.36 34.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.658 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -68.47 -35.42 77.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -116.23 72.48 4.85 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.11 -19.97 68.22 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 122.428 2.085 . . . . 0.0 112.408 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.87 -39.66 92.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.18 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -63.48 -44.87 93.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.46 . . . . 0.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -39.1 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.5 -42.41 96.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.201 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.0 t -61.78 -43.2 99.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.525 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.06 -43.31 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.105 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.74 -39.51 91.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.82 -40.42 97.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.259 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -59.93 -41.47 91.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 95.8 mt -42.41 106.33 0.46 Allowed Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.173 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.66 139.42 76.54 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.025 1.817 . . . . 0.0 112.345 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.82 0.69 89.71 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 67.8 t -127.62 131.08 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -129.83 150.42 75.82 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.71 -17.49 59.23 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.457 2.104 . . . . 0.0 112.161 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.18 -12.16 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -64.68 136.24 56.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.578 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.87 -38.75 92.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.272 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.65 95.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.15 -44.72 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.729 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.32 -46.28 90.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.614 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -62.82 -41.39 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.5 mmt -63.78 -39.33 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.438 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 -43.74 98.65 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.8 p -66.54 -38.23 86.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.111 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.768 -179.58 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.23 -39.87 94.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.34 93.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.423 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.19 93.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.34 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.22 96.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.451 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.662 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -60.91 -43.08 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.849 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.24 -51.26 69.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.7 -44.82 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.233 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.44 -45.21 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.26 -41.3 97.0 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.866 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' TYR . . . . . 0.432 ' OH ' ' O ' ' B' ' 80' ' ' ALA . 25.8 m-85 -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.49 -49.75 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.62 -33.92 74.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.257 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.78 -37.23 85.74 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.482 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.23 -39.78 82.21 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.384 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 57.5 p -87.1 -11.78 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.458 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -112.64 -58.78 2.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.38 -164.67 21.25 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 103.633 -3.787 . . . . 0.0 103.633 170.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.67 -13.21 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.824 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -17.56 40.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -72.15 129.37 38.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.478 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.77 -39.99 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.535 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.42 106.75 17.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 t -137.16 125.6 23.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' B' ' 50' ' ' THR . 7.0 t -113.47 74.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.6 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -147.04 126.69 13.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.98 -39.3 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -93.98 61.46 2.99 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 31.0 t -162.98 141.1 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.13 167.68 15.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.468 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.58 -3.88 2.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.15 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 85.6 m -74.4 149.71 86.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.079 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.94 -37.03 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.125 1.883 . . . . 0.0 112.506 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -84.01 -10.36 57.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.919 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -96.61 127.92 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.684 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.9 145.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.3 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.81 147.01 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -139.87 168.06 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.764 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.02 161.47 26.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.34 -34.48 73.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.609 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -70.17 -46.43 64.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.245 0.545 . . . . 0.0 110.211 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.11 95.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.036 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . 0.435 ' HB3' ' HE3' ' B' ' 63' ' ' MET . . . -61.88 -39.12 90.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.95 91.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.59 -45.51 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.398 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.071 0.463 . . . . 0.0 109.92 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.7 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.354 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.77 -44.21 96.78 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.353 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.01 -39.42 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.65 -41.15 97.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -62.62 -47.33 84.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.59 -49.69 75.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 12.5 tt -80.61 -7.33 10.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 t30 47.08 40.06 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.432 ' O ' ' OH ' ' B' ' 36' ' ' TYR . . . -62.25 142.12 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.345 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -74.13 145.75 44.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.531 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.82 -179.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 308' ' ' ILE . 1.1 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.2 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.442 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.47 -37.62 78.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 305' ' ' SER . 87.1 mt -112.57 123.04 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.088 0.47 . . . . 0.0 110.581 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.99 -40.53 95.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.74 90.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 73.8 m -63.16 -40.18 96.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 67.3 m -62.07 141.68 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.642 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . 65.18 7.57 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -131.15 135.75 47.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 50.12 38.47 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 94.3 m -113.0 126.55 55.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 66.0 m -128.93 152.23 48.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -138.28 73.52 43.55 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-O 121.486 0.66 . . . . 0.0 110.485 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 139.35 90.37 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.686 2.257 . . . . 0.0 111.976 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -147.39 68.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.83 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -91.1 -109.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.709 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 57.37 -95.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.683 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -52.42 -24.35 7.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.09 -15.83 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.63 -37.07 84.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.81 129.7 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -117.09 125.76 51.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.579 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 73.6 t -66.95 -38.49 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.9 mmt -58.89 -20.36 50.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -82.13 1.73 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -130.6 75.08 79.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.062 0.458 . . . . 0.0 110.645 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.5 -33.34 96.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.823 2.348 . . . . 0.0 111.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.34 -45.07 94.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -65.28 -42.92 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.423 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.37 -40.49 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -62.11 -42.28 99.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 96.9 p -64.53 -36.34 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.96 -47.77 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.613 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.2 mt -62.76 -41.24 99.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.594 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.26 -38.16 89.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.15 -37.54 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.365 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.86 141.86 85.09 Favored Pre-proline 0 C--O 1.239 0.514 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.777 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.54 137.27 32.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.403 2.069 . . . . 0.0 112.194 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.95 1.41 84.85 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.8 t -108.57 125.76 65.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.515 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -132.3 148.33 69.29 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.37 -17.81 54.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.858 2.372 . . . . 0.0 112.27 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -83.8 -5.67 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -71.56 136.11 47.32 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 110.616 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.73 -38.76 92.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.78 96.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.44 -45.25 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -64.65 -40.58 95.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.63 -41.78 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -39.59 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.99 94.59 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 45.8 t -65.46 -46.2 80.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.738 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . 0.536 ' CD1' ' HZ3' ' B' ' 77' ' ' LYS . 59.5 tp -62.22 -43.12 99.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.97 98.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 47.1 t -62.12 -44.67 96.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.81 -39.93 91.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.13 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 91.5 m -127.5 127.33 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -93.15 127.18 38.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.21 138.19 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -104.24 11.52 51.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.64 139.69 53.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.86 0.362 . . . . 0.0 110.556 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -148.66 137.1 21.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . 0.444 ' O ' ' OE2' ' A' ' 374' ' ' GLU . 99.6 m-20 -60.14 139.05 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -102.32 -3.43 27.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -153.93 168.02 27.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.649 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 54.81 41.26 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 370' ' ' ASP . 78.7 mm-40 -63.53 -39.96 95.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.685 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -91.85 106.48 18.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.41 -44.63 95.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.597 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 14.7 mmt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -61.49 -38.66 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.366 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.72 -42.35 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.3 97.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.28 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.76 98.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -64.18 -42.48 96.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.49 -47.43 85.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.17 -43.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.423 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.12 -42.87 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -62.58 -42.46 99.57 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . 0.439 ' CE2' ' HG ' ' B' ' 82' ' ' LEU . 28.6 m-85 -65.36 -41.91 93.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -61.53 -49.08 78.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -67.14 -35.11 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.24 -39.74 95.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.14 -36.98 69.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.943 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 62.8 p -87.02 -9.42 55.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.029 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -124.31 -66.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 95.38 -151.96 20.21 Favored Glycine 0 N--CA 1.466 0.692 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -100.02 -11.74 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 -17.6 39.64 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -83.25 141.26 31.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.83 -39.1 90.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.27 131.45 42.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.77 136.77 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.0 p -95.36 6.79 48.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -105.69 116.5 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.11 -39.73 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -94.17 60.21 2.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.676 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -150.87 132.15 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.499 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.476 ' C ' ' H ' ' B' ' 57' ' ' CYS . . . -58.16 160.28 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p 75.81 -20.56 0.35 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.476 ' H ' ' C ' ' B' ' 55' ' ' ALA . 49.1 t -66.75 123.91 87.15 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 -33.72 27.03 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.645 2.23 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 58.9 p -79.63 -18.95 50.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -92.95 137.53 32.28 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -110.49 146.26 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -56.05 139.74 45.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.405 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 51.4 mmm -125.98 158.45 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.69 174.34 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.194 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.87 -40.27 97.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -74.32 -43.06 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.583 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.05 99.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.429 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.58 -38.52 87.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.05 91.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.28 -44.96 94.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.13 -40.36 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.042 0.449 . . . . 0.0 110.073 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.47 99.46 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.399 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -44.18 96.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.16 -40.99 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 24.1 mt -61.1 -38.42 86.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -59.9 -44.51 94.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.538 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.536 ' HZ3' ' CD1' ' A' ' 359' ' ' LEU . 57.6 mtpt -59.3 -42.33 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 36.3 pt -86.62 -3.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 32.8 m120 52.29 40.41 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.439 ' O ' ' OH ' ' B' ' 36' ' ' TYR . . . -53.99 142.56 24.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.365 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.67 145.24 45.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.726 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.439 ' HG ' ' CE2' ' B' ' 36' ' ' TYR . 1.9 mp -86.15 155.33 20.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 50.4 t -60.6 -47.63 85.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -70.99 148.72 94.63 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.51 150.52 75.36 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.71 2.273 . . . . 0.0 112.37 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -69.76 148.28 96.54 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo . . . . . 0 C--N 1.307 -1.613 0 C-N-CA 122.737 2.291 . . . . 0.0 112.335 178.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -66.44 144.22 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.84 104.56 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.35 134.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.85 -39.46 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.761 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -64.67 137.32 57.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 93.5 p -82.8 -10.45 58.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 82.9 p -70.84 160.32 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.512 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -112.61 143.93 42.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 317' ' ' SER . 25.2 ptp -57.19 -24.2 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.635 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 317' ' ' SER . 65.4 t0 -59.74 -39.04 83.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 7.2 t -41.27 -21.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 315' ' ' ASP . 88.7 p -148.66 162.11 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.95 64.53 72.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.78 -16.84 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.931 2.421 . . . . 0.0 112.116 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -140.89 159.22 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -72.18 -11.81 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.49 32.28 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.16 -40.85 94.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.759 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.83 -37.32 85.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.22 -37.72 88.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -42.14 127.42 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -117.6 125.88 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.0 -32.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.126 0.489 . . . . 0.0 110.6 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 23.5 mmt -59.63 -20.7 57.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.576 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.33 -0.62 23.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.645 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -130.37 74.81 79.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.747 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 -35.42 92.12 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.738 2.292 . . . . 0.0 112.097 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.44 -41.91 97.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.977 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -64.98 -44.06 90.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.18 -39.75 93.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.477 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.62 -41.55 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.4 m -61.58 -40.07 93.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 65.1 t -61.3 -46.05 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.459 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.7 -40.46 97.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.03 -39.6 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.449 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.6 mt -58.6 139.11 85.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.15 0.5 . . . . 0.0 110.505 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.31 136.78 32.37 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.513 2.142 . . . . 0.0 112.302 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.18 0.81 84.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 64.2 t -120.34 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.504 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.439 ' O ' ' HB2' ' A' ' 349' ' ' ASN . 26.0 m-20 -139.16 152.04 68.9 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.62 -28.93 13.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 114.372 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.75 -24.09 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' ' 346' ' ' ASP . 2.4 m120 -52.56 124.17 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 173.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.81 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.95 91.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.79 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.61 -41.83 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.74 -42.13 98.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.46 -40.16 92.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.25 99.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.781 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.71 -38.82 92.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -61.42 -45.79 95.69 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.13 -41.63 90.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.789 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . 0.47 ' CD1' ' HZ2' ' B' ' 77' ' ' LYS . 60.4 tp -63.25 -42.63 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.604 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.42 94.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 73.7 m -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -64.11 -39.43 94.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.55 144.47 57.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 98.1 m -122.77 131.57 53.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.93 138.25 40.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.34 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 175.39 -174.91 47.09 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -130.85 130.23 43.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.349 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.13 153.4 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 55.5 50.58 14.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.24 144.12 51.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -72.34 144.77 48.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -85.94 131.43 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.18 142.98 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -83.64 -179.03 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.493 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -129.97 150.48 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.459 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--O 1.222 -0.378 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.388 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.75 -42.74 93.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.29 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.7 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.372 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.36 -45.26 95.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.3 m170 -61.47 -41.65 97.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.37 -51.23 69.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.0 -43.99 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -61.28 -39.62 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.07 -41.57 99.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -66.13 -42.15 89.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -60.07 -49.29 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -65.81 -40.96 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -62.29 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -66.03 -38.9 89.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.022 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -82.79 -8.72 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -116.68 -99.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.51 -163.91 27.8 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.82 -13.63 19.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -18.04 40.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.73 136.11 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.51 127.67 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.8 t -145.05 131.3 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 6.3 t -110.7 62.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.48 125.04 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.04 -39.69 95.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.753 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -101.64 61.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.65 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -159.35 138.64 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.14 173.04 7.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.488 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m 62.87 16.77 9.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.18 149.1 36.29 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.13 -21.55 67.77 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 C-N-CA 122.915 2.41 . . . . 0.0 112.082 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 80.3 p -99.05 -1.15 40.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -104.75 125.76 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.706 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.86 145.0 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.54 147.5 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.372 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.3 ptp -150.0 171.32 17.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -84.49 179.81 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -70.43 -40.93 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -48.62 80.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.42 95.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 110.326 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.27 90.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.91 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.0 mm -63.13 -46.16 96.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -62.89 -38.96 92.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.128 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.27 97.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.21 -45.08 93.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.211 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.52 -40.61 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.2 mp -55.99 -45.58 78.97 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.34 -41.37 93.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.109 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.47 ' HZ2' ' CD1' ' A' ' 359' ' ' LEU . 38.0 ttmt -58.08 -45.17 87.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.299 -179.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 7.6 tt -81.68 -9.56 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 t30 55.44 37.1 28.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 141.61 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -74.77 142.96 44.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.83 151.85 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.28 -46.15 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.55 148.02 95.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.25 149.95 76.24 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -132.86 75.28 72.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.305 -1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 112.161 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.42 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.62 143.96 57.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 84.7 mt -115.97 124.61 72.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.12 -178.49 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.746 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.21 38.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 42.8 t -64.13 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 68.9 m -68.01 145.36 54.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -153.41 154.1 33.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.0 ttp -133.17 129.58 38.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.532 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.09 148.86 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 81.1 p -70.33 -17.17 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.457 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 92.8 p -71.61 -13.25 61.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 57.79 59.68 6.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.22 152.62 56.13 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.786 2.324 . . . . 0.0 112.233 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -63.34 144.3 57.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -80.03 171.54 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.577 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 52.45 41.67 30.91 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.948 0.404 . . . . 0.0 110.581 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.484 ' CG ' ' HZ2' ' B' ' 25' ' ' LYS . 24.5 pt-20 -62.32 -21.11 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.769 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.96 -20.92 66.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.455 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.04 -37.32 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -55.59 129.15 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.67 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -119.79 124.54 46.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.347 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.09 -38.87 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.213 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.65 -9.12 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.7 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -67.47 -34.48 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.244 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -119.31 86.09 32.41 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.54 -26.28 44.76 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.018 2.479 . . . . 0.0 112.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.8 -39.92 90.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.372 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.06 -47.2 85.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.433 . . . . 0.0 110.205 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.9 -39.44 94.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -61.49 -41.26 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.212 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.3 t -61.31 -41.73 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 77.7 t -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.89 -40.39 95.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.268 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.05 -39.15 93.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.465 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . 0.427 ' ND2' ' HZ2' ' B' ' 30' ' ' LYS . 99.3 m-20 -60.96 -36.23 78.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.786 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.43 139.98 84.55 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.829 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.52 136.58 31.32 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 121.868 1.712 . . . . 0.0 112.208 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.59 1.59 86.8 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 71.6 t -102.93 124.26 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -129.29 147.66 65.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.735 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -68.94 -20.46 38.77 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.298 1.999 . . . . 0.0 112.155 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.22 -13.63 60.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.49 130.66 45.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -38.89 88.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.13 96.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.53 -46.38 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.28 -40.95 98.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -62.61 -43.0 99.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.79 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.92 -39.75 94.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.313 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.45 97.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.2 p -67.12 -38.69 86.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.92 -44.94 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.7 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 73.8 m -62.24 -41.77 98.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.25 -40.2 95.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.628 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.31 97.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.514 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 59.3 p -82.51 164.7 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.62 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.92 134.11 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -88.56 105.39 17.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 178.11 -179.51 48.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -73.07 144.1 47.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.794 0.33 . . . . 0.0 110.686 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.89 146.07 46.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 371' ' ' LYS . 59.4 p30 -64.37 -13.93 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 370' ' ' ASP . 88.1 tttt -61.3 -40.56 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -126.86 148.31 49.99 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -150.25 154.32 37.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.597 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.16 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -93.17 102.13 14.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -60.88 -23.54 65.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.75 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 62.0 pttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.68 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.5 mmm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.484 ' HZ2' ' CG ' ' A' ' 323' ' ' GLU . 6.7 tppt? -62.39 -40.75 97.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.65 -41.22 94.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.444 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.95 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.379 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.64 98.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.427 ' HZ2' ' ND2' ' A' ' 341' ' ' ASN . 88.0 tttt -63.52 -43.04 98.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -61.31 -42.49 98.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.544 HD22 ' NH2' ' B' ' 35' ' ' ARG . 78.3 mt -62.81 -46.57 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.517 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.94 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.544 ' NH2' HD22 ' B' ' 32' ' ' LEU . 83.4 mtm180 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.17 -46.64 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -62.58 -49.23 76.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -64.24 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . 0.414 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 0.9 OUTLIER -69.25 -39.1 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 176.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.21 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.8 p -80.73 -55.01 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.31 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.12 -52.82 63.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 96.29 -166.24 24.27 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 171.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 29.2 p -100.69 -11.89 19.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.582 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.49 -17.95 57.41 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -80.05 120.67 24.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.336 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.84 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.56 132.99 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.1 p -96.35 5.0 51.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.97 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -103.05 118.14 36.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.191 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.84 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.298 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.45 59.08 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.505 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -157.56 140.46 15.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.729 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.87 163.44 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.99 0.424 . . . . 0.0 110.383 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.06 18.92 2.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.592 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.487 ' SG ' ' OG1' ' B' ' 59' ' ' THR . 0.1 OUTLIER -116.38 151.72 47.23 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.129 -179.792 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.98 -31.6 46.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.448 2.098 . . . . 0.0 112.451 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.487 ' OG1' ' SG ' ' B' ' 57' ' ' CYS . 0.8 OUTLIER -75.33 8.16 2.95 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 120.596 3.554 . . . . 0.0 120.596 167.876 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -125.09 127.55 47.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -172.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.84 144.25 40.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.208 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.62 141.82 58.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.385 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.8 ptp -148.13 170.1 18.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.718 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.59 163.27 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.41 -39.92 89.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.527 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -61.84 -49.93 74.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.358 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.91 91.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.315 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.19 91.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.9 mm -63.84 -44.78 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.427 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -61.71 -42.19 98.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.64 -41.18 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.53 -43.55 98.54 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.31 -39.49 93.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.61 -40.96 93.76 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.379 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.15 -44.7 94.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.919 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 pt -85.81 -1.83 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 54.56 40.4 31.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.265 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.31 141.39 24.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.01 144.35 47.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.08 152.66 39.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.8 t -59.66 -48.56 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -129.46 147.67 66.12 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.07 153.51 72.0 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.397 2.064 . . . . 0.0 112.073 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -69.74 148.86 96.73 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.494 1.533 0 C-N-CA 122.339 2.026 . . . . 0.0 112.201 179.35 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.3 94.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.91 -40.13 94.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.37 -45.5 98.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.37 -39.23 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 52.14 -101.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 83.2 p -71.81 160.72 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' SER . . . . . 0.492 ' OG ' ' SD ' ' A' ' 314' ' ' MET . 98.3 p -155.27 166.94 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.47 96.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' MET . . . . . 0.492 ' SD ' ' OG ' ' A' ' 312' ' ' SER . 93.8 mmm 56.85 43.06 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.82 146.68 53.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.517 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.5 m -113.37 125.31 54.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.462 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 64.1 m -72.99 148.66 44.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.576 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . 0.528 ' C ' ' H ' ' A' ' 320' ' ' ALA . 74.0 mm-40 -129.63 148.5 69.67 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.624 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -45.87 -10.06 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.833 2.355 . . . . 0.0 112.155 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . 0.528 ' H ' ' C ' ' A' ' 318' ' ' GLU . . . -59.9 -38.27 81.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.542 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 323' ' ' GLU . 26.3 pttm -55.73 -158.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 54.81 -82.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 321' ' ' LYS . 16.5 tm-20 -60.71 -44.16 96.92 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.71 0.29 . . . . 0.0 110.529 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -64.48 -43.05 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 326' ' ' TYR . 99.6 m-20 -63.12 -39.8 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . 0.442 ' CD2' ' O ' ' A' ' 326' ' ' TYR . 69.1 t80 39.4 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.653 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.08 115.07 15.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.34 -30.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.467 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.0 mmt -59.21 -26.19 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.46 -179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -71.47 -6.0 37.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.591 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -125.49 67.63 57.92 Favored Pre-proline 0 C--O 1.238 0.451 0 CA-C-O 121.325 0.583 . . . . 0.0 110.193 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.32 -29.53 72.67 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.642 2.228 . . . . 0.0 112.133 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.11 -45.13 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.98 -44.19 93.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.185 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 86.8 mt -62.05 -39.53 92.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.784 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.82 -41.47 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.44 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 70.5 m -61.37 -41.23 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.69 -45.14 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.693 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 88.4 mt -61.6 -40.74 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.34 -38.03 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -59.02 -38.29 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.211 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.2 mt -57.52 141.94 77.86 Favored Pre-proline 0 N--CA 1.448 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.861 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.55 136.39 33.43 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.417 2.078 . . . . 0.0 112.389 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.9 84.96 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.13 124.63 69.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.276 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -136.87 149.38 66.55 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.64 -19.77 59.91 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.707 2.271 . . . . 0.0 112.252 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -71.5 -17.53 62.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 132.97 54.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.519 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.46 -36.3 82.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.306 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.68 96.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.01 -46.92 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.819 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.73 -45.8 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.28 -38.42 91.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.0 97.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.12 -39.21 92.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.35 97.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 72.5 m -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.35 -45.16 94.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.372 -179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -85.88 -7.4 58.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 3.8 t 49.8 40.25 19.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -63.08 -39.86 95.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.696 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.54 94.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 61.5 m -63.78 133.93 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.45 -17.18 64.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 56.1 39.25 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -85.97 -172.72 48.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.19 -39.79 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.95 42.24 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.78 142.9 57.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 374' ' ' GLU . 58.8 mtpt -128.82 151.77 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.72 156.31 27.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 55.31 55.24 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.651 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 371' ' ' LYS . 74.3 mm-40 -62.59 147.11 50.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -85.95 105.52 16.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -61.97 -39.83 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.562 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.023 0.44 . . . . 0.0 110.358 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.84 -41.93 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.0 98.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.46 98.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -44.41 97.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.54 -43.6 96.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 83.1 mt -61.47 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.48 -39.5 94.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -62.78 -42.92 99.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -66.25 -42.85 88.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -62.31 -50.01 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -63.4 -40.85 98.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . 0.434 ' NE2' HD23 ' B' ' 82' ' ' LEU . 37.8 tt0 -62.02 -38.61 89.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.799 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.2 mt -71.68 -39.08 70.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.054 177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.1 p -80.58 -13.99 58.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.954 -178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -118.04 -70.63 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.52 -152.04 18.2 Favored Glycine 0 N--CA 1.468 0.802 0 N-CA-C 105.015 -3.234 . . . . 0.0 105.015 172.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 p -99.18 -13.03 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.604 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.22 -18.61 47.69 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.85 143.35 49.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -61.87 -18.48 60.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.5 150.13 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 49.8 t -141.66 137.0 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.463 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -93.04 2.6 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -97.67 118.68 34.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.421 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.7 OUTLIER -60.47 -38.87 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.393 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -94.37 59.89 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.2 t -154.07 139.51 17.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.5 161.95 28.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.62 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 151.26 42.02 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.54 -25.15 35.18 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.849 2.366 . . . . 0.0 112.39 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -88.76 16.82 6.22 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 172.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -139.43 124.54 18.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -170.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -102.47 132.42 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.451 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -45.92 136.17 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mmt -114.02 147.75 38.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.97 179.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.117 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.37 -40.67 97.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.715 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.78 -43.55 54.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.5 91.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.48 -37.69 74.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.62 -45.37 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.292 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.248 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.39 -44.65 95.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.96 -40.87 91.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.534 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.4 mt -62.42 -41.58 98.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.705 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -45.55 94.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -56.43 -46.88 80.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 19.2 pt -82.4 -7.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 52.72 41.65 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.702 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.61 138.38 34.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -59.77 144.64 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.631 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.434 HD23 ' NE2' ' B' ' 39' ' ' GLN . 76.2 mt -84.67 152.79 23.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.68 -46.95 88.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.694 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -130.72 77.73 75.09 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.1 141.37 96.36 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.754 2.303 . . . . 0.0 111.772 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.626 ' N ' ' CD ' ' B' ' 87' ' ' PRO . 0.5 OUTLIER -65.05 -42.58 62.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 179.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' B' ' 86' ' ' HIS . 32.5 Cg_exo . . . . . 0 C--N 1.308 -1.555 0 C-N-CA 122.742 2.295 . . . . 0.0 112.172 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.84 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.378 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.37 141.82 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.53 155.95 40.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.759 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.84 142.37 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.86 94.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 46.6 t -60.89 -44.3 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 89.9 p -63.03 -37.9 89.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.527 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 316' ' ' THR . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 62.6 mtt -64.2 -39.69 94.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -60.74 -45.08 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 313' ' ' ALA . 63.2 m -124.46 128.25 48.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 87.3 p -72.1 -15.47 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -131.6 78.98 69.96 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.566 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -55.68 -18.69 21.58 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.143 2.562 . . . . 0.0 111.791 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.67 85.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.888 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -59.88 -47.79 84.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.673 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.51 -35.66 75.71 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.468 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.45 -41.49 93.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.57 -36.76 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 53.4 t0 -63.41 -15.42 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.01 126.03 11.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.478 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -112.72 121.67 45.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.24 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.682 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.29 -23.75 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -84.75 3.58 36.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.78 73.53 54.18 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.987 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.35 -27.61 71.49 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.363 2.042 . . . . 0.0 112.167 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.34 -44.39 96.6 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -67.08 -44.04 81.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.406 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.52 -39.63 94.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -61.6 -41.69 97.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.6 m -62.04 -41.12 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.37 -44.29 98.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.19 -41.04 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.486 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.41 -39.83 95.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -59.38 -36.76 76.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.108 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.4 mt -57.01 144.15 69.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.059 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.72 137.17 34.93 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.114 1.876 . . . . 0.0 112.432 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 73.99 8.14 77.64 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.0 t -111.67 124.32 68.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -130.73 147.93 68.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.78 -20.13 46.29 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -81.26 -0.96 43.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.465 ' ND2' ' HB3' ' B' ' 66' ' ' ASN . 48.2 t30 -69.36 133.64 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.404 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.13 -38.12 85.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.315 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.82 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.34 -46.27 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.4 -39.78 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.81 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.0 mmt -64.42 -38.99 92.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.381 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.31 97.95 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.656 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.89 -45.23 90.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -88.2 -9.45 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.2 m 50.52 43.95 27.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.451 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -98.04 85.11 3.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.689 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . 0.516 ' O ' ' O ' ' A' ' 364' ' ' THR . . . -150.42 151.76 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 364' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 363' ' ' ALA . 67.0 p 45.7 178.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.654 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.99 -49.01 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.15 80.01 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.64 128.81 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.64 144.24 41.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.37 -38.73 90.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 56.19 36.98 28.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.708 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 51.54 36.96 18.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.583 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 45.84 36.25 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.78 129.67 40.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 375' ' ' ASP . 51.5 p-10 -84.78 -174.26 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.575 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -126.39 145.57 50.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 110.385 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.317 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -61.79 -39.9 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.48 -42.53 99.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.711 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.43 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.51 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.74 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.49 -43.18 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -61.58 -41.5 97.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.1 -45.22 93.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.813 0.34 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.6 -44.15 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.191 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -62.31 -42.17 99.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.72 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . 0.534 ' CE2' HD22 ' B' ' 82' ' ' LEU . 23.6 m-85 -65.65 -41.62 92.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.491 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -61.55 -49.18 77.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.37 -39.05 88.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.646 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.42 ' CD1' ' CZ ' ' B' ' 60' ' ' PHE . 59.1 tp -66.93 -44.82 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -72.34 -27.44 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.38 -77.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.913 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 130.29 -149.11 18.85 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 107.518 -2.233 . . . . 0.0 107.518 174.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -99.52 -8.95 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.47 -17.84 56.39 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.44 147.47 50.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -61.85 -39.91 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.31 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.61 131.26 41.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.263 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 52.3 t -123.63 129.11 50.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 86.5 m -95.19 56.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -146.59 126.42 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.77 -41.52 97.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.33 60.04 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.715 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 12.2 t -171.53 143.82 1.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -70.96 -178.75 2.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.016 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.53 9.98 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.14 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.468 ' SG ' ' OG1' ' B' ' 59' ' ' THR . 52.7 t -105.56 120.13 50.39 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.84 -34.95 23.13 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.257 1.971 . . . . 0.0 112.659 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.468 ' OG1' ' SG ' ' B' ' 57' ' ' CYS . 73.2 p -70.01 -24.3 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.797 -179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . 0.42 ' CZ ' ' CD1' ' B' ' 40' ' ' LEU . 80.4 t80 -102.25 134.0 46.24 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -107.83 146.34 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -55.75 138.59 47.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.26 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 67.4 mmm -120.15 157.65 28.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.544 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -72.82 171.32 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.91 -43.08 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.465 ' HB3' ' ND2' ' A' ' 349' ' ' ASN . 11.2 m-80 -66.73 -45.75 77.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 110.803 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.0 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.769 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.25 89.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.084 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.4 mm -64.96 -44.97 96.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.0 110.406 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -64.51 -39.62 94.12 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.06 96.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.77 -44.09 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.437 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.28 -39.48 93.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.78 -42.22 97.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.94 0.4 . . . . 0.0 110.355 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.27 -45.16 94.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.15 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -56.26 -47.24 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.363 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -81.99 -4.59 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.635 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.14 41.22 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.77 29.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.029 0.443 . . . . 0.0 110.198 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.59 144.03 46.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.777 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.534 HD22 ' CE2' ' B' ' 36' ' ' TYR . 80.7 mt -74.25 146.87 42.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.83 -47.4 86.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.03 150.71 97.49 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -49.71 140.23 30.0 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.123 1.882 . . . . 0.0 112.213 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.64 148.67 96.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 N--CA 1.495 1.6 0 C-N-CA 122.516 2.144 . . . . 0.0 112.133 179.632 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -149.9 154.05 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.553 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -84.0 -177.91 6.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 87.8 mt -118.33 125.09 74.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.651 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.77 8.39 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -62.18 141.47 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 69.4 m -70.03 149.65 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.724 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.5 m -61.6 -40.06 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -150.47 150.86 31.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -91.38 100.65 13.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 68.1 p -67.21 -12.81 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 73.2 m -63.87 -38.97 93.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 319' ' ' PRO . 8.6 mt-10 -54.31 -63.61 2.6 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 318' ' ' GLU . 28.2 Cg_endo -61.6 -28.29 82.65 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.338 2.025 . . . . 0.0 112.428 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.68 78.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -48.78 -26.78 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.23 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -72.11 124.76 25.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.201 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.45 -39.27 88.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.75 -36.79 77.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.2 -10.25 30.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.673 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -49.0 128.43 16.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -112.82 126.09 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.274 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 61.6 t -61.71 -39.39 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.499 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.0 mmt -64.08 -9.99 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.58 -28.18 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.58 84.51 30.29 Favored Pre-proline 0 C--O 1.237 0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -33.05 83.66 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.827 2.351 . . . . 0.0 111.806 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.08 -41.38 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.067 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . 0.43 ' O ' ' OG ' ' A' ' 337' ' ' SER . 73.6 t80 -61.8 -45.44 93.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.441 . . . . 0.0 109.921 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 86.6 mt -62.59 -40.04 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.51 -41.52 98.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 334' ' ' PHE . 94.1 p -62.67 -35.33 79.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.658 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 74.5 t -62.82 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.097 0.475 . . . . 0.0 110.167 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 53.7 mt -62.26 -41.75 98.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.441 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.02 -39.18 93.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.64 -37.85 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.29 142.37 86.46 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.182 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 136.96 31.86 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.995 1.797 . . . . 0.0 112.332 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.03 2.88 87.76 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.03 126.39 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.368 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -130.92 148.59 70.83 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.12 -18.77 51.39 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.539 2.16 . . . . 0.0 112.137 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -78.72 -0.17 29.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.88 135.93 43.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.056 0.455 . . . . 0.0 110.288 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -64.89 -37.82 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.468 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.62 97.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.816 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.53 -43.99 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 179.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -60.17 -46.88 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.501 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.71 -38.73 91.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.69 97.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -39.54 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.68 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.19 -43.98 97.79 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 88.9 p -66.98 -39.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.75 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.1 tp -62.98 -44.35 96.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.426 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.27 94.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.5 m -62.5 -41.65 98.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -62.64 -40.62 97.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.713 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.665 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 69.0 p -81.12 159.88 24.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.77 -20.7 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.323 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.47 -40.15 85.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.375 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.72 99.57 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.14 -40.47 97.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.54 -39.86 94.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 53.1 t0 52.54 46.51 26.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.18 129.63 40.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -63.75 131.39 47.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -76.48 143.61 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -129.84 141.95 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -93.71 103.3 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 44.85 -125.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.538 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -61.77 -39.4 91.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.591 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.47 -42.87 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.31 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.22 97.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.3 95.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -63.92 -43.26 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.82 -45.39 94.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.869 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -42.12 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.725 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.18 -42.72 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.15 -39.9 94.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.45 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.06 -42.74 99.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -66.43 -41.37 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -60.95 -50.02 75.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -70.0 -35.17 74.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.005 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.28 -39.25 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.977 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.3 mt -69.89 -41.07 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.283 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 73.8 p -75.45 -29.81 59.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -98.23 -58.92 1.86 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -173.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.88 -162.25 20.27 Favored Glycine 0 N--CA 1.472 1.056 0 N-CA-C 103.185 -3.966 . . . . 0.0 103.185 170.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -99.42 -13.14 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.99 46.82 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.15 144.6 46.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.533 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.94 -39.38 94.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.41 137.04 52.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.1 t -134.95 130.79 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.174 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 74.0 p -87.79 -0.16 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -95.45 116.27 28.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.21 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -89.53 58.81 4.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -155.34 142.47 19.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.413 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.71 172.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.085 179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m 63.71 20.51 12.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.352 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.478 ' SG ' ' OG1' ' B' ' 59' ' ' THR . 0.5 OUTLIER -114.76 151.24 45.2 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.408 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.19 -20.78 55.98 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.478 ' OG1' ' SG ' ' B' ' 57' ' ' CYS . 60.5 p -94.04 16.68 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -148.82 125.61 11.18 Favored 'General case' 0 CA--C 1.454 -2.736 0 CA-C-O 122.275 1.036 . . . . 0.0 108.28 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.64 150.9 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.206 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -57.56 136.22 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.28 160.37 34.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.877 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.18 178.46 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.231 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.69 -42.21 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -63.05 -49.19 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.408 0.623 . . . . 0.0 110.622 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.73 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.285 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.14 -38.41 90.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.93 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.28 -44.44 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -62.45 -40.14 95.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.899 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.88 -45.04 91.18 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.27 -39.77 93.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mp -62.11 -43.19 99.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.546 0.688 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.25 -45.79 91.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.099 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.86 -48.37 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 11.7 tt -79.04 -9.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.594 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 54.42 36.84 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.59 143.28 25.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.05 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -67.22 142.74 56.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.529 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mp -79.14 151.77 31.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.53 -46.75 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.266 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -69.88 151.98 96.12 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.764 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -50.88 139.31 41.07 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.154 1.902 . . . . 0.0 112.229 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -132.8 73.01 76.61 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--N 1.307 -1.643 0 C-N-CA 122.807 2.338 . . . . 0.0 112.132 179.77 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.43 90.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.606 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.72 -40.64 95.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.681 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 85.4 mt -62.65 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.762 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.79 -39.77 90.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 56.43 44.95 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 68.0 m -123.26 145.7 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 41.5 t -64.09 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.94 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.37 -39.56 93.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 316' ' ' THR . 98.7 m-20 -63.83 147.87 50.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.434 ' CB ' ' O ' ' A' ' 315' ' ' ASP . 0.2 OUTLIER 75.81 134.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.674 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 62.7 m 51.87 41.98 29.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.747 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' A' ' 319' ' ' PRO . 3.0 mm-40 -60.58 -60.31 11.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 318' ' ' GLU . 27.3 Cg_endo -62.85 -23.82 74.33 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.634 2.223 . . . . 0.0 112.008 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -94.34 129.59 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.293 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.41 162.54 32.78 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -79.52 141.55 36.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.935 0.397 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.97 -33.64 74.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.01 -17.14 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -73.12 -9.89 59.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . 0.665 ' CE2' ' HB3' ' B' ' 25' ' ' LYS . 10.6 p90 -39.83 136.39 1.08 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.071 0.463 . . . . 0.0 110.52 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -88.09 118.35 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.3 t -59.98 -38.93 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.75 -3.79 3.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -123.22 82.42 51.87 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-O 121.154 0.502 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.5 -35.09 91.63 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.842 2.361 . . . . 0.0 111.374 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.57 -39.2 92.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -62.15 -45.2 94.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.023 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 82.5 mt -61.62 -39.81 92.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.686 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.85 -40.77 96.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 71.3 m -60.9 -39.61 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.25 -45.16 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.228 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 89.3 mt -61.07 -40.23 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.227 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.95 -38.86 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.07 -39.25 85.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.194 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.7 mt -56.87 135.18 79.4 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.972 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.0 137.82 32.62 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.256 1.971 . . . . 0.0 112.702 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.35 1.76 86.52 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 65.6 t -112.99 123.73 68.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.241 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -135.37 152.62 76.96 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.839 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.0 -25.5 79.81 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.63 2.22 . . . . 0.0 112.079 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.0 -15.41 62.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -66.01 134.66 53.36 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.004 0.43 . . . . 0.0 110.537 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.34 87.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.43 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.21 -43.99 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -61.64 -45.66 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.439 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.05 -38.29 90.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.58 -38.98 91.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.05 98.19 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 71.7 m -65.64 -41.11 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.2 tp -62.03 -44.94 95.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.77 97.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 36.3 t 55.5 -178.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . 0.447 ' C ' ' H ' ' A' ' 364' ' ' THR . 97.9 mt-30 -64.72 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 56.9 8.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 364' ' ' THR . . . . . 0.447 ' H ' ' C ' ' A' ' 362' ' ' GLN . 59.7 p -65.29 -14.54 60.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.88 -38.09 84.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 52.63 42.34 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -158.04 -171.11 23.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.64 147.23 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 110.535 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.91 -42.93 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.362 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.2 129.3 41.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.546 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -68.75 125.62 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 47.61 31.43 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 49.72 35.75 9.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.655 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 51.28 37.76 19.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.796 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 47.14 -124.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.523 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.34 -39.77 94.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.458 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.3 mmm . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.665 ' HB3' ' CE2' ' A' ' 326' ' ' TYR . 1.0 OUTLIER -58.26 -45.02 88.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.372 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.88 92.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.68 98.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.42 -44.85 96.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.62 -45.76 92.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.441 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.12 -44.48 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.63 -40.86 96.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.327 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -62.83 -41.63 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.77 -42.66 94.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -60.77 -49.28 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.717 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' B' ' 42' ' ' GLU . 41.1 m170 -67.79 -33.72 75.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.12 -37.9 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.469 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 88.3 mt -69.55 -38.53 77.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.23 178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -87.82 -11.19 48.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.267 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . 0.412 ' HB2' ' O ' ' B' ' 38' ' ' HIS . 71.6 mm-40 -121.68 -67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -173.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.33 -152.58 20.96 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 174.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 p -99.34 -13.47 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 -18.16 42.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -81.05 142.89 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.07 -38.69 87.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.62 42.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -145.69 135.83 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.344 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.0 p -92.73 2.73 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -104.93 114.23 28.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . 0.43 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -59.95 -38.65 83.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.229 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -92.46 59.45 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 50.9 t -150.53 134.84 17.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.505 ' C ' ' H ' ' B' ' 57' ' ' CYS . . . -58.69 159.71 6.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p 76.31 -21.17 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.047 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.505 ' H ' ' C ' ' B' ' 55' ' ' ALA . 47.3 t -65.51 127.47 93.01 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -50.13 -36.12 44.6 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.448 2.099 . . . . 0.0 112.295 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.6 p -76.91 -17.38 58.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -91.37 132.03 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 174.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.94 145.95 33.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.26 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -61.22 143.87 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.309 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ptp -147.9 171.36 15.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -80.68 169.3 17.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -35.39 78.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -64.39 -49.36 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.44 95.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.206 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.97 96.18 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.418 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.32 95.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.95 -47.25 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -64.06 -40.09 95.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.62 97.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.28 -44.66 94.43 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.33 -40.01 93.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.495 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 23.3 mt -60.36 -42.34 95.58 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 123.248 0.343 . . . . 0.0 110.658 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -61.1 -45.12 96.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.197 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -57.24 -46.22 83.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.756 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.39 -2.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 57.43 38.94 28.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.37 142.62 21.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -70.19 145.3 51.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.17 150.34 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . 0.457 ' O ' ' SG ' ' B' ' 83' ' ' CYS . 40.8 t -85.3 60.13 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.492 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -134.75 75.47 62.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.51 154.77 40.39 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.692 2.261 . . . . 0.0 112.2 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.457 ' N ' ' HD2' ' B' ' 87' ' ' PRO . 0.8 OUTLIER -54.4 -60.63 7.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.027 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.457 ' HD2' ' N ' ' B' ' 86' ' ' HIS . 23.9 Cg_endo . . . . . 0 N--CA 1.493 1.484 0 C-N-CA 122.729 2.286 . . . . 0.0 112.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.29 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.644 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.69 -44.62 95.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 40.2 pt -74.59 -19.8 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.992 0.425 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -91.03 -3.79 56.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.366 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 53.9 29.65 10.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 1.3 t 51.37 27.32 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 1.3 p 54.16 16.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -145.21 153.08 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.3 mtt -132.41 148.47 52.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.72 -40.47 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 13.6 t -150.58 151.1 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 85.0 p -82.93 -12.78 57.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -130.37 65.49 76.0 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.591 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.439 ' O ' ' OD2' ' A' ' 325' ' ' ASP . 43.8 Cg_endo -69.1 -33.61 18.68 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.311 2.008 . . . . 0.0 112.261 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.23 96.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.7 -39.77 88.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.582 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 88.7 tt0 -86.68 99.83 12.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.43 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -69.73 -21.94 63.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.626 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.52 -21.15 63.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.695 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 319' ' ' PRO . 49.5 p-10 -79.08 2.3 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.97 128.0 35.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -117.01 124.1 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 92.6 t -66.49 -39.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.311 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.3 -35.04 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -71.38 2.49 4.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -128.48 76.83 78.03 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.43 -31.9 92.54 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.645 2.23 . . . . 0.0 111.92 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.4 -43.57 98.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -66.36 -42.96 87.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.54 -39.49 93.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.595 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.47 -43.04 99.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.266 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 91.0 p -63.4 -37.9 89.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.02 -45.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.92 -39.42 94.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.57 -39.84 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.567 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.02 -41.5 96.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.674 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 95.6 mt -45.28 107.64 0.67 Allowed Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.39 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.59 140.57 90.25 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.788 1.659 . . . . 0.0 112.095 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.79 2.64 90.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 66.4 t -125.43 129.6 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.446 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 92.8 m-20 -125.77 148.51 62.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.811 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -19.94 54.42 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.446 2.097 . . . . 0.0 112.092 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.61 -12.97 60.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.703 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.446 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 98.6 m-20 -65.43 141.24 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.006 0.432 . . . . 0.0 110.358 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -64.32 -37.73 88.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.49 97.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 39.5 mm -64.68 -44.95 96.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.934 0.397 . . . . 0.0 110.551 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.72 -39.84 95.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.2 mmt -64.7 -39.37 93.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.413 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.97 98.33 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.6 m -64.99 -40.24 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.61 -44.34 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.89 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.702 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 70.1 m -69.13 145.28 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.476 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.44 -41.62 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.82 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.455 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 77.5 p -81.5 -12.42 58.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -86.55 149.06 25.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.583 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.703 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -75.82 168.16 54.77 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -128.31 142.8 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -64.07 143.3 57.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 372' ' ' LYS . 59.4 p30 -142.35 -171.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.18 -39.52 90.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.436 ' O ' ' OD1' ' A' ' 370' ' ' ASP . 64.7 mttp -114.12 109.44 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 370' ' ' ASP . 75.2 mm-40 51.67 -131.93 2.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -126.36 141.4 51.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.389 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -78.14 106.05 9.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.95 -43.45 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.396 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.469 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -61.92 -39.99 93.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -62.56 -42.41 99.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.96 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.11 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.381 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.28 -44.4 95.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.685 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -60.79 -45.0 96.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.748 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.25 -48.09 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.82 -44.53 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.925 0.393 . . . . 0.0 110.143 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.99 -40.22 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.219 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -61.27 -42.02 97.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.77 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -66.22 -42.6 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.1 t80 -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.04 -45.69 91.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . 0.407 ' OE1' HD21 ' B' ' 82' ' ' LEU . 63.1 tt0 -63.56 -38.92 92.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.53 -39.92 85.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.893 0.378 . . . . 0.0 110.994 177.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 75.7 p -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -127.5 -80.98 0.6 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.801 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 135.8 -151.76 20.77 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 175.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -98.58 -12.77 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.816 0.341 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.81 49.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -72.38 142.28 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.13 -39.54 92.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.471 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.72 131.51 54.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.43 127.74 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -100.16 10.22 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.536 ' ND2' ' H ' ' B' ' 84' ' ' ASP . 28.3 t-20 -97.31 119.22 35.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.382 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -60.46 -39.16 86.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.538 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -93.51 59.39 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -158.01 139.51 13.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.326 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.04 171.94 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.247 179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 m 63.69 19.75 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.066 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 40.9 t -106.73 131.38 21.75 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -47.88 -36.49 26.94 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.951 1.767 . . . . 0.0 112.405 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.29 -19.09 54.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -87.81 130.98 34.69 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -99.38 132.56 44.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.192 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -57.67 140.51 51.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.9 162.02 30.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.839 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.09 171.91 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.914 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . 0.423 ' ND2' ' H ' ' B' ' 66' ' ' ASN . 0.3 OUTLIER -64.38 -46.56 82.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.107 0.48 . . . . 0.0 110.289 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.23 90.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.318 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.49 89.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.91 95.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.9 mm -66.18 -43.15 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -62.57 -39.96 95.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.789 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.15 98.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.244 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.26 -44.23 95.73 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -40.64 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 32.4 mt -64.38 -32.91 74.72 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.75 -41.89 91.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.04 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -42.52 84.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 pt -92.21 -6.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 52.88 39.15 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.096 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.2 142.73 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -73.34 145.23 46.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.487 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.407 HD21 ' OE1' ' B' ' 39' ' ' GLN . 2.6 mp -96.61 126.04 41.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 4.1 t 38.9 84.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.39 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.536 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 98.9 m-20 -66.25 148.93 98.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.68 151.94 74.56 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.314 2.009 . . . . 0.0 112.117 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -132.73 74.19 75.03 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.428 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--N 1.307 -1.651 0 C-N-CA 122.712 2.274 . . . . 0.0 112.226 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.44 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -88.73 105.73 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 86.4 mt -116.17 124.01 71.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.23 -179.46 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -60.96 141.84 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 47.9 t -146.83 144.52 29.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 45.0 t -149.37 143.61 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.01 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 79.6 mtm -126.93 144.6 50.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.65 148.16 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 96.9 m -119.19 128.78 54.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 46.9 t -152.05 147.74 26.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.665 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 51.05 57.86 17.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.491 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.38 151.09 71.19 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.829 2.353 . . . . 0.0 112.124 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . 0.48 ' CB ' ' OD2' ' A' ' 325' ' ' ASP . . . -63.78 137.97 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -64.25 -19.83 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 49.1 mp0 -68.96 143.73 54.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.0 -10.84 59.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.424 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.32 -20.71 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.468 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . 0.48 ' OD2' ' CB ' ' A' ' 320' ' ' ALA . 98.6 m-20 -65.7 -15.78 63.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.544 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -56.14 127.97 33.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.479 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -115.99 126.55 53.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 85.4 t -69.71 -39.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 23.5 mmt -60.47 -34.66 74.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.36 -0.38 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -125.69 69.27 63.28 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.28 -29.47 73.03 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.525 2.15 . . . . 0.0 112.123 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.73 -45.54 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.298 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.9 -43.84 91.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.309 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 83.3 mt -61.72 -39.97 93.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.658 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.37 -42.29 98.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.409 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.5 t -61.14 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -44.74 99.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.151 0.5 . . . . 0.0 110.399 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.34 -41.65 97.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.281 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.44 -37.08 86.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.281 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.8 -38.84 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.279 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -57.58 144.34 72.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.989 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.69 135.31 30.3 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.196 1.931 . . . . 0.0 112.379 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 76.45 7.26 85.16 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.3 t -113.44 124.66 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.368 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -135.95 149.2 67.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.972 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.53 -18.04 58.58 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.605 2.204 . . . . 0.0 112.083 179.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.68 -9.91 59.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -71.16 138.07 49.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.993 0.425 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.08 -37.23 85.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.89 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.57 -43.61 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.674 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -39.3 93.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.42 96.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.71 -39.22 93.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.33 97.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 97.1 p -68.79 -36.67 78.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.55 -45.14 89.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -90.69 -7.56 52.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 29.8 m 49.88 45.36 25.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.517 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.91 -42.62 98.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.513 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -152.75 146.34 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 82.8 p -111.83 -8.14 14.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -82.62 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 172.42 -175.35 45.6 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 44.89 -119.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.323 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.59 144.3 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . 0.436 ' O ' ' OE1' ' A' ' 374' ' ' GLU . 67.4 t0 -87.51 109.12 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.664 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.46 -37.73 84.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.74 136.04 56.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 52.45 28.59 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.447 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 370' ' ' ASP . 51.8 tp10 -71.64 133.66 45.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.439 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.05 103.67 15.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -62.29 -39.66 93.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.424 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -63.27 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -60.02 -43.5 95.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.538 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.12 97.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.522 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.63 98.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -41.83 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.15 -43.79 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -61.54 -42.51 98.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 89.7 mt -62.35 -45.87 91.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.697 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.55 -43.98 98.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.371 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.93 -43.28 98.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.36 -42.07 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -63.95 -41.33 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -60.49 -48.46 81.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.575 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -62.62 -41.87 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -62.38 -37.35 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 111.628 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.55 -39.32 88.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.1 p -88.73 -10.19 49.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -123.5 -71.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 115.91 -141.42 16.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 105.6 -3.0 . . . . 0.0 105.6 172.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 p -99.59 -10.61 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.95 -17.59 56.26 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.67 144.19 55.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.38 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.2 -39.57 93.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.98 128.32 38.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -134.7 133.02 39.56 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -103.06 77.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -147.17 132.59 18.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.78 -39.53 94.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -105.69 64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -168.4 138.31 2.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.486 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 178.42 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.006 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m 63.12 15.99 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 96.6 m -103.14 148.12 35.17 Favored Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.33 -18.23 49.92 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.669 2.246 . . . . 0.0 112.254 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 p -101.81 0.3 35.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -104.96 126.94 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.72 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.39 131.49 51.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.036 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -47.6 139.72 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtt -127.79 154.33 45.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.157 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.25 173.85 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.102 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -61.41 -43.46 98.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.66 -45.86 81.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.531 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.52 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.243 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.02 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.38 89.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.78 -46.19 95.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -64.1 -39.79 94.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.32 96.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.965 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.01 -43.59 98.52 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.74 -39.3 93.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.426 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.91 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.562 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -64.35 -47.2 80.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.162 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -59.91 -47.95 83.7 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 16.2 tt -80.1 -9.35 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.25 38.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.49 143.75 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.73 144.29 50.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.559 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' B' ' 87' ' ' PRO . 6.3 mp -81.57 155.04 25.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.687 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.33 -47.77 84.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.34 148.61 98.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.98 155.03 66.21 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.604 2.203 . . . . 0.0 112.408 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.7 t60 48.97 64.59 8.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.653 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . 0.506 ' HB3' HD11 ' B' ' 82' ' ' LEU . 59.6 Cg_exo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . 50.26 42.05 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.677 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -63.36 -13.49 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.521 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.59 -41.95 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.476 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -82.66 108.76 16.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -150.24 159.28 44.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 75.5 m -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.384 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 1.6 p 66.72 145.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -65.1 -13.74 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 61.3 tpp -59.4 -36.68 76.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -60.77 -11.27 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 98.6 m -60.62 -43.98 96.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.487 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 82.7 p -70.29 159.84 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 44.53 69.02 2.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 321' ' ' LYS . 36.4 Cg_exo -59.54 142.64 99.21 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.905 2.404 . . . . 0.0 112.132 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . 39.37 -97.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 323' ' ' GLU . 7.0 mmmt 55.76 -174.99 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.486 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 63.92 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 321' ' ' LYS . 23.6 pt-20 -66.84 -29.31 69.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.082 0.468 . . . . 0.0 110.672 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.06 -8.6 39.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.49 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 326' ' ' TYR . 66.4 t0 -62.31 -35.33 78.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 325' ' ' ASP . 33.4 t80 -38.06 130.81 1.15 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -109.39 125.92 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.86 -39.93 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 24.1 mmt -60.53 -35.03 75.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.389 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.68 0.93 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.45 66.03 61.33 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.482 . . . . 0.0 110.107 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.32 -29.3 63.45 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.565 2.177 . . . . 0.0 112.222 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.28 -45.95 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.117 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -66.03 -42.44 89.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.1 mt -61.11 -40.31 93.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.741 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.35 -42.28 98.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -62.63 -40.78 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -46.23 96.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.22 -41.66 98.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.67 -38.67 89.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.512 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.4 mt -57.26 141.77 76.77 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.978 -178.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.168 1.912 . . . . 0.0 112.355 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.55 3.48 86.61 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.78 124.98 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.44 149.02 71.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.98 -17.93 51.67 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.626 2.217 . . . . 0.0 112.163 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.15 -9.45 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.628 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -66.07 137.2 56.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.124 0.488 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -65.58 -37.06 85.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.3 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.43 -44.85 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.698 179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.27 -47.37 86.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.86 -42.7 99.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.7 mmt -64.34 -39.1 93.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.82 98.59 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.7 t -63.89 -43.24 96.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.954 0.407 . . . . 0.0 110.454 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.88 -43.44 98.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.262 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . 0.506 ' HB3' ' OD2' ' A' ' 366' ' ' ASP . . . -61.31 -40.98 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 75.2 m -61.91 -40.31 95.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -62.54 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.95 143.7 57.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 72.4 p -68.14 -33.85 75.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.59 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.07 140.08 47.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . 0.506 ' OD2' ' HB3' ' A' ' 360' ' ' ALA . 54.7 t0 -122.5 -20.34 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 79.74 -168.3 52.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -125.16 141.77 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.12 0.486 . . . . 0.0 110.294 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.97 -32.37 73.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.28 -40.93 94.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.683 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -63.87 -40.51 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.651 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -63.87 -42.13 97.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -41.15 96.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.429 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 58.4 -120.18 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.22 10.32 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.63 147.27 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.592 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.685 179.762 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -63.61 -42.85 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.186 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -63.01 -40.42 97.71 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.98 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.6 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.65 91.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.375 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.45 -44.35 95.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.36 -41.03 96.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.547 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.39 -50.86 68.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.155 0.503 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.409 HG22 HD11 ' B' ' 33' ' ' ILE . 82.7 mt -60.49 -42.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.275 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.69 -40.58 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.81 -41.17 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.574 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' B' ' 82' ' ' LEU . 46.5 m-85 -66.89 -39.68 87.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.96 -48.31 82.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.187 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -62.54 -40.6 97.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.284 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -62.53 -39.75 94.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 111.295 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.7 mt -72.73 -38.47 67.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.479 178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 72.0 p -85.05 -4.39 59.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.109 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -145.5 -64.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.217 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.3 -132.27 11.18 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 106.869 -2.493 . . . . 0.0 106.869 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -104.94 -14.19 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.14 -17.89 30.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.773 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -39.36 87.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.705 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.73 126.88 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -149.12 138.41 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 73.7 p -97.38 7.02 47.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -106.74 114.52 28.66 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.13 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.62 -39.39 88.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -93.29 59.39 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.22 135.47 17.97 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.976 0.417 . . . . 0.0 110.912 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.5 ' C ' ' H ' ' B' ' 57' ' ' CYS . . . -55.67 165.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p 67.17 -4.76 0.79 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.444 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.5 ' H ' ' C ' ' B' ' 55' ' ' ALA . 48.5 t -86.15 128.31 58.22 Favored Pre-proline 0 CA--C 1.513 -0.461 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.7 -26.28 16.99 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.344 2.029 . . . . 0.0 112.447 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 79.5 p -88.32 9.77 22.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -135.75 131.62 35.78 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -170.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.32 149.51 29.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -53.02 141.88 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.2 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 77.3 mmm -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.819 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.54 171.13 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.845 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.4 -40.22 95.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -73.31 -44.5 58.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.471 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.19 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.14 90.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.1 mm -64.23 -46.68 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.05 -38.8 92.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.13 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.01 -45.43 89.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.575 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.51 -37.59 85.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.803 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 19.7 mt -66.34 -39.44 89.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.15 -44.78 94.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.026 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -55.26 -48.26 74.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.6 -3.37 6.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.659 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.45 40.99 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 140.66 20.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.026 0.441 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.38 144.39 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.913 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.518 HD23 ' CD2' ' B' ' 36' ' ' TYR . 82.8 mt -82.93 154.49 24.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.784 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -60.01 -47.24 86.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.214 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -69.0 149.16 97.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.73 151.45 74.55 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.56 2.173 . . . . 0.0 112.248 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -134.22 75.74 64.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--N 1.306 -1.662 0 C-N-CA 122.809 2.34 . . . . 0.0 112.073 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 306' ' ' ALA . 18.1 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 305' ' ' SER . . . 75.01 -61.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 55.2 t0 49.96 46.0 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 44.2 pt -128.52 156.93 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.746 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.02 105.25 17.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -64.95 145.35 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 45.5 t -146.27 139.66 25.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.656 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 48.0 t -151.27 146.91 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.29 144.28 55.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.666 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 60.2 ttm -97.32 127.85 43.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . 0.443 ' OD1' ' OG ' ' A' ' 317' ' ' SER . 68.1 t0 -92.48 108.59 20.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 66.6 p -66.82 -28.61 68.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 317' ' ' SER . . . . . 0.443 ' OG ' ' OD1' ' A' ' 315' ' ' ASP . 82.7 p -71.3 161.3 31.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.378 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.45 74.14 75.95 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.39 141.53 89.35 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.661 2.241 . . . . 0.0 111.877 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -121.75 128.97 52.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' A' ' 323' ' ' GLU . 63.6 mttp -60.8 -41.95 96.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.653 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 73.28 -36.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.425 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.534 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . 95.9 mt-10 -65.61 -28.13 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.475 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.02 -22.73 64.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.98 -14.74 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -53.78 128.42 29.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -120.6 122.67 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.01 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.437 ' C ' ' H ' ' A' ' 331' ' ' ASP . 22.3 mmt -60.72 -35.34 76.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -72.1 6.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . 0.437 ' H ' ' C ' ' A' ' 329' ' ' MET . 58.6 m-20 -130.7 75.32 79.0 Favored Pre-proline 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.88 -34.36 96.85 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.794 2.33 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.33 -44.41 95.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.795 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.26 -45.69 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.85 -39.77 94.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.8 -42.4 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 46.9 t -60.66 -43.65 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.88 -45.34 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.64 -38.98 89.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -39.54 94.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.08 -41.52 96.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 7.5 mp -47.99 110.88 1.52 Allowed Pre-proline 0 N--CA 1.447 -0.612 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.3 137.64 71.59 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.275 1.983 . . . . 0.0 112.212 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.72 -0.22 88.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.93 125.95 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -130.56 148.69 71.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.88 -21.47 57.4 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.727 2.284 . . . . 0.0 112.21 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -71.65 -15.28 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.14 140.65 58.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -65.2 -30.49 71.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.15 99.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.328 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.67 -44.32 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.88 -45.94 92.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.771 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.58 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.71 -43.09 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 35.9 mmt -64.08 -39.2 93.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.546 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.36 -43.76 98.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 94.8 p -67.51 -35.67 79.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.508 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . 0.575 ' CD1' ' HZ2' ' B' ' 77' ' ' LYS . 61.7 tp -59.08 -45.02 91.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.899 -179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -91.44 -6.21 53.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 27.8 m 51.41 41.44 28.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -104.87 88.55 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.52 138.77 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.407 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 77.6 p -132.29 162.14 31.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -103.65 140.63 37.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.22 142.87 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 82.43 -62.5 4.57 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.348 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 40.66 -126.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -106.48 16.52 24.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.616 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -68.38 134.97 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 110.417 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 373' ' ' GLU . 17.5 mmmt -65.29 -40.0 93.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 372' ' ' LYS . 98.4 mt-10 54.01 169.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.489 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 53.88 40.71 31.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -87.5 2.99 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.28 144.77 53.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.415 -179.842 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 323' ' ' GLU . 54.3 mtmt -62.98 -38.62 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.53 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.2 -42.27 99.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.9 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.11 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.1 99.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.84 -41.94 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.11 -43.14 99.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.662 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.81 -45.38 94.08 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.51 -43.65 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.273 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -42.36 99.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.93 -43.33 99.07 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -64.81 -44.38 90.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.5 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.16 -48.12 79.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.915 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.14 -47.53 85.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -35.71 79.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 61.2 tp -67.26 -45.57 76.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.77 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 73.0 p -72.69 -28.04 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -103.14 -78.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -155.26 22.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 108.25 -1.94 . . . . 0.0 108.25 175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 p -98.25 -12.75 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.08 -18.6 39.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -72.19 142.03 49.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.579 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.74 -39.12 93.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.7 134.89 53.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.3 t -138.11 127.66 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 79.0 p -103.94 10.1 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -95.2 115.53 27.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.23 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.73 59.91 2.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.571 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.08 141.65 16.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.63 172.46 10.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.268 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.49 17.77 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.6 t -105.28 131.98 21.28 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -46.77 -36.65 19.89 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.452 2.101 . . . . 0.0 112.371 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.5 p -79.6 -19.94 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.794 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -88.11 131.3 34.75 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 116.536 2.051 . . . . 0.0 116.536 172.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.99 146.28 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -60.75 140.17 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.86 164.58 24.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.746 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.92 166.57 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.599 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.63 -40.67 97.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -67.48 -46.86 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 110.288 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.57 97.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.144 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.38 90.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.205 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.79 91.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.71 -45.04 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.152 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -62.74 -39.54 94.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.68 -40.61 95.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.002 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.43 -43.66 98.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -64.32 -39.02 93.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.3 mt -60.5 -40.22 90.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.186 0.517 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.44 -46.11 87.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.284 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.575 ' HZ2' ' CD1' ' A' ' 359' ' ' LEU . 13.3 ttmm -58.68 -46.65 86.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.556 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 12.4 tt -81.32 -11.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 59.3 t30 56.62 37.86 29.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.255 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.46 140.28 34.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.04 140.02 54.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 35.6 mt -78.95 151.21 31.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.871 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.39 -48.26 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -129.94 77.97 75.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.64 150.48 40.11 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.741 2.294 . . . . 0.0 112.064 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 71.2 m80 46.63 60.64 14.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.63 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 C--N 1.307 -1.626 0 C-N-CA 122.787 2.325 . . . . 0.0 112.193 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.96 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.6 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 10.7 tp -67.12 -29.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -65.99 125.09 24.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.66 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 69.48 24.19 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 120.99 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 89.9 p -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . 63.48 12.51 6.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.457 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.4 mtt -86.17 -10.64 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.21 37.94 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 97.6 m -64.04 -42.51 97.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.742 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 68.9 m -88.12 -2.23 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -135.92 59.43 28.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.069 0.461 . . . . 0.0 110.542 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 -17.38 59.62 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.867 2.378 . . . . 0.0 112.145 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.23 71.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -61.1 -38.18 85.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.8 132.63 54.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.407 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -66.74 -38.22 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.43 -21.94 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.23 -38.0 89.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . 0.525 ' CD1' ' NH2' ' B' ' 26' ' ' ARG . 92.3 t80 -54.4 128.83 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -126.48 119.39 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.614 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.3 t -61.67 -41.3 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.457 -179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.61 -24.77 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -88.77 11.73 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . 0.506 ' OD2' ' CE1' ' A' ' 326' ' ' TYR . 53.3 m-20 -129.08 76.46 79.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.32 -37.11 97.47 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.79 2.327 . . . . 0.0 111.979 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -41.69 98.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.54 -44.84 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.86 -40.03 96.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.96 -41.38 97.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -61.2 -39.29 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.04 -44.1 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 0.0 110.539 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.52 -40.46 94.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.333 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.77 88.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -59.99 -39.79 86.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.13 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.15 138.6 94.42 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.21 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.57 137.28 30.05 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.059 1.84 . . . . 0.0 112.773 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.22 2.13 86.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.74 124.11 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.84 0.352 . . . . 0.0 110.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -145.24 153.92 53.16 Favored Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.763 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.17 -22.14 63.09 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.816 2.344 . . . . 0.0 112.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.22 -19.04 63.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.545 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.27 127.39 32.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.337 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.1 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.38 -45.1 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -60.75 -45.95 92.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.62 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.56 -40.57 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.8 mmt -65.14 -39.3 92.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.97 96.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 358' ' ' SER . . . . . 0.55 ' N ' ' HZ2' ' A' ' 368' ' ' LYS . 47.7 t -64.58 -43.32 94.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.892 0.377 . . . . 0.0 110.406 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.88 88.79 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.475 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 361' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 358' ' ' SER . 58.5 m 41.9 28.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.4 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.07 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.15 98.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.749 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 30.6 m -144.69 107.24 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -60.46 -29.74 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.934 0.397 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.52 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 145.62 174.03 17.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . 0.55 ' HZ2' ' N ' ' A' ' 358' ' ' SER . 23.0 mmtp -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.719 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -143.57 9.32 1.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.618 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.82 79.24 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.25 -39.26 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -154.66 162.74 41.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.681 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -149.33 161.44 42.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -120.3 142.85 48.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.97 5.58 48.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.633 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.5 145.61 45.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.457 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -62.66 -37.31 85.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.544 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . 0.525 ' NH2' ' CD1' ' A' ' 326' ' ' TYR . 83.3 mtt85 -59.28 -46.81 87.54 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.212 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.46 95.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.375 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.453 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.62 -44.94 93.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 -179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.05 -43.15 93.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -63.91 -42.12 97.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.41 -45.32 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.544 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.12 -44.79 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.35 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.419 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.6 tt0 -62.13 -43.67 98.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.448 ' O ' ' HB2' ' B' ' 39' ' ' GLN . 99.1 mtt180 -62.72 -41.92 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . 0.447 ' CE2' HD22 ' B' ' 82' ' ' LEU . 19.9 m-85 -63.52 -43.01 98.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.692 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -62.37 -49.79 74.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.762 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . 0.419 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 78.5 m-70 -65.18 -38.73 91.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . 0.448 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 28.0 tp60 -63.17 -40.08 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mp -72.23 -43.12 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.5 p -71.85 -29.62 64.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.892 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -101.04 -81.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.51 -164.44 22.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 5.1 p -99.48 -9.58 23.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -18.32 57.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.69 139.17 57.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.349 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -63.42 -39.77 95.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.58 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.94 84.19 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.71 137.45 58.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -97.72 7.57 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -103.88 123.59 47.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.182 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.6 -39.67 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -91.52 59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -163.45 144.99 9.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.528 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.02 176.12 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.045 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m 64.55 16.83 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.04 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.13 130.13 24.91 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.0 -37.01 21.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.413 2.076 . . . . 0.0 112.417 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.08 -13.56 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.682 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.96 121.8 42.4 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.577 3.151 . . . . 0.0 109.592 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -109.14 140.4 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.375 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.62 136.47 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -129.03 163.74 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.956 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 167.94 15.63 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -45.63 93.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.731 176.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -48.16 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.689 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.9 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.13 77.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.99 94.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 43.0 mm -61.62 -46.35 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.277 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.12 -39.38 92.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.016 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.63 97.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.142 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.54 -44.01 95.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.51 -40.49 97.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.77 -40.16 91.48 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.236 0.335 . . . . 0.0 110.117 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.12 -41.84 97.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -57.71 -44.21 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.446 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.13 -2.33 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.705 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 52.23 40.53 29.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.336 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.425 ' O ' ' OH ' ' B' ' 36' ' ' TYR . . . -53.2 138.69 31.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.64 144.28 51.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.447 HD22 ' CE2' ' B' ' 36' ' ' TYR . 78.3 mt -78.27 154.75 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.67 -43.93 93.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.19 148.33 93.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.645 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.68 162.34 42.42 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.698 2.265 . . . . 0.0 112.539 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 52.8 58.54 14.46 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.487 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 C--N 1.306 -1.676 0 C-N-CA 122.83 2.353 . . . . 0.0 112.264 -179.833 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . 49.91 19.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 307' ' ' ASP . 48.1 t0 49.05 40.09 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 21.0 tt -143.04 138.88 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -91.03 102.21 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -152.99 153.97 34.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 98.9 p -151.9 160.27 43.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 38.6 t -68.49 139.51 55.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.11 137.34 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 65.7 mtt 44.92 29.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . 0.533 ' CG ' ' H ' ' A' ' 316' ' ' THR . 67.9 t0 42.5 -121.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.374 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.533 ' H ' ' CG ' ' A' ' 315' ' ' ASP . 94.9 m -121.37 128.7 52.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 97.5 p -154.76 162.57 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 49.89 68.2 3.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.77 141.51 84.66 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.704 2.27 . . . . 0.0 111.961 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -151.53 154.02 35.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -106.24 170.12 8.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 24.1 pt-20 -153.54 154.38 34.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.748 0.308 . . . . 0.0 110.358 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.465 ' C ' ' HZ1' ' B' ' 25' ' ' LYS . 99.4 mt-10 -69.33 -18.57 63.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.917 0.389 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.81 -25.69 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 322' ' ' GLU . 55.4 p30 -80.49 -1.79 43.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.727 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -64.32 131.36 47.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -123.96 117.1 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.613 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.99 -35.52 65.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 24.6 mmt -58.47 -34.36 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.08 1.91 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -129.79 74.43 80.68 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.683 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.39 -33.66 96.62 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.753 2.302 . . . . 0.0 112.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.19 -45.76 92.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.076 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.83 -45.2 93.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.64 -40.08 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -41.77 98.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.32 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 72.8 m -62.36 -41.45 98.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.6 mt -62.18 -41.79 98.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -38.63 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.479 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.84 -36.99 77.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.387 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 93.2 mt -59.98 140.89 90.24 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.912 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.49 137.5 36.38 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.894 1.729 . . . . 0.0 112.242 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.55 1.18 86.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.88 125.83 69.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.687 0.279 . . . . 0.0 110.53 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . 0.454 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 96.9 m-20 -134.44 149.26 70.61 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.05 -22.39 62.23 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.357 2.038 . . . . 0.0 112.111 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.97 -14.82 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . 0.454 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 99.0 m-20 -64.06 135.89 56.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.098 0.475 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -64.41 -37.25 86.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.46 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.28 -44.33 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.19 -47.28 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.13 -40.26 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.85 99.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -39.78 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.665 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.73 96.39 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.5 m -65.68 -41.92 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.4 tp -63.9 -44.15 93.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.221 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.97 93.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 41.3 t -62.06 138.75 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -100.57 5.64 44.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.698 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.59 143.1 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 81.3 p -130.21 166.92 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.1 -20.59 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 366' ' ' ASP . 67.3 t0 -59.8 -34.68 73.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.392 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 368' ' ' LYS . . . -59.16 -17.17 36.69 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 367' ' ' GLY . 63.8 pttt -40.21 163.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 56.61 27.02 11.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 48.68 36.14 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 50.66 36.87 15.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -79.03 137.13 37.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.844 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -84.79 147.99 26.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -39.66 94.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.16 107.0 18.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.26 -40.02 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.654 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.465 ' HZ1' ' C ' ' A' ' 323' ' ' GLU . 1.7 mmmm -62.53 -40.23 96.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -62.95 -41.18 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.39 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.71 95.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.42 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -63.22 -42.68 99.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -46.37 89.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.46 -43.76 98.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.77 -44.95 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.243 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.407 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.1 tt0 -61.31 -43.53 98.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.995 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . 0.468 ' CE2' HD22 ' B' ' 82' ' ' LEU . 20.3 m-85 -65.23 -40.28 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.322 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -62.52 -49.62 74.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . 0.407 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 84.4 m-70 -64.54 -41.94 96.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -65.06 -42.25 94.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.456 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 54.0 tp -68.82 -42.66 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -71.26 -29.32 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -105.43 -76.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 137.47 -153.96 22.26 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -98.71 -12.63 20.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.682 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.82 -18.12 49.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -71.64 138.93 49.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.622 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.25 -39.75 95.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.552 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.9 126.19 53.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -141.97 129.37 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -113.2 68.68 0.68 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -147.29 125.66 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -62.75 -38.81 92.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.52 60.24 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.636 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 t -162.8 136.97 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.94 173.19 10.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.457 179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.4 m 63.7 18.61 11.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.988 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 90.0 m -100.91 150.48 37.08 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.191 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.93 -32.43 47.48 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.144 1.896 . . . . 0.0 112.477 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.4 p -92.97 12.67 23.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.058 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -113.14 125.93 54.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 -172.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -113.44 138.5 50.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -53.34 128.13 27.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.64 167.93 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.641 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.99 169.4 18.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.88 -41.03 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.732 178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -45.0 72.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.035 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.65 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.034 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.144 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.97 -41.56 92.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.1 mm -65.59 -44.35 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.52 -40.9 98.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.324 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.28 -43.49 97.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.22 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.03 -39.55 95.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.22 -36.67 84.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.243 0.544 . . . . 0.0 110.176 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.4 -49.08 79.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.636 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -69.07 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.692 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 tt -81.21 -9.46 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.45 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 55.17 39.01 31.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.293 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.71 140.14 36.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -71.03 143.06 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.761 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . 0.468 HD22 ' CE2' ' B' ' 36' ' ' TYR . 86.6 mt -79.95 155.34 27.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.81 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.6 t -120.27 78.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -133.76 77.48 63.45 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.289 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -57.93 145.86 89.31 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 123.041 2.494 . . . . 0.0 111.83 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -67.85 148.23 98.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.031 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--N 1.316 -1.165 0 C-N-CA 122.43 2.086 . . . . 0.0 112.195 179.545 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -148.93 153.47 38.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -88.43 105.62 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 41.4 pt -130.32 156.82 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -88.01 105.29 17.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.53 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -63.72 142.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 41.0 t -62.56 140.28 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 81.1 p -71.23 161.16 31.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.01 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 314' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 315' ' ' ASP . 16.5 tmm? -115.01 119.43 36.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . 0.492 ' O ' ' SD ' ' A' ' 314' ' ' MET . 98.7 m-20 -66.21 139.86 58.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 316' ' ' THR . . . . . 0.438 ' O ' ' OE2' ' A' ' 318' ' ' GLU . 94.5 m -63.03 -43.97 97.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.654 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 46.9 t -68.23 147.0 52.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 318' ' ' GLU . 44.2 mp0 -128.3 68.98 77.86 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.26 -15.81 28.32 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.828 2.352 . . . . 0.0 112.245 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -60.29 139.62 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . 0.529 ' NZ ' ' O ' ' B' ' 77' ' ' LYS . 71.3 mmtt -103.1 3.51 36.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.484 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 59.61 41.98 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -127.13 126.42 42.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -91.55 -58.98 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -139.96 57.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -160.34 131.8 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.414 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -117.77 109.71 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.42 -41.82 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 329' ' ' MET . . . . . 0.432 ' C ' ' H ' ' A' ' 331' ' ' ASP . 21.2 mmt -60.63 -35.96 77.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.518 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.36 5.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.047 0.451 . . . . 0.0 110.356 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . 0.432 ' H ' ' C ' ' A' ' 329' ' ' MET . 55.5 m-20 -129.01 75.82 79.95 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.55 -36.57 97.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.764 2.31 . . . . 0.0 111.893 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -62.14 -41.4 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.27 -48.1 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.61 -40.12 96.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.0 m -61.23 -42.46 98.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.673 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.46 -45.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.415 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.75 -38.03 89.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.546 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -59.2 -37.97 78.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.991 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.8 mt -58.47 142.96 81.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.012 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.5 135.52 31.28 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.129 1.886 . . . . 0.0 112.575 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.64 2.46 85.34 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.0 124.96 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.358 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -134.4 148.5 67.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.48 -19.92 48.36 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.489 2.126 . . . . 0.0 112.257 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.09 -4.66 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.74 138.79 50.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.38 -38.94 91.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.44 92.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.839 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -66.21 -42.61 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.629 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.29 -47.23 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.786 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.99 -39.72 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.22 98.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -39.46 94.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.09 -43.36 98.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 358' ' ' SER . . . . . 0.433 ' O ' ' OG ' ' A' ' 361' ' ' SER . 92.3 p -64.86 -38.49 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.63 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.86 -44.55 92.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.423 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.11 93.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 361' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 358' ' ' SER . 89.7 p -63.12 -39.27 94.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.92 -41.28 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.582 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.05 97.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.551 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 69.2 p -81.71 158.65 24.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.27 -40.76 98.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -149.19 98.71 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -62.16 -40.22 98.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -70.34 146.07 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -127.19 148.89 50.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.67 140.2 57.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -62.37 -39.59 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 88.0 tttt 62.35 -83.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -73.58 130.23 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.28 146.24 41.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -89.43 6.24 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.71 144.19 49.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.647 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.8 mmm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.12 -41.44 98.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.18 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.59 -42.09 99.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.79 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.64 99.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -44.33 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -61.44 -42.92 99.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.6 mt -62.46 -44.93 95.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.797 0.332 . . . . 0.0 110.115 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.69 -45.43 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.603 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.51 -44.72 93.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.07 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -64.81 -43.63 92.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.698 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -62.61 -49.63 74.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.642 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -66.89 -35.27 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.368 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.15 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.899 0.381 . . . . 0.0 111.443 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -72.2 -39.13 68.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.091 178.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 59.6 p -82.12 -16.06 51.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -115.48 -63.81 1.4 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -174.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.86 -165.88 15.52 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 106.516 -2.634 . . . . 0.0 106.516 174.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.14 -13.28 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.61 -18.24 44.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.09 138.44 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -39.79 95.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.28 125.56 45.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.1 t -150.53 131.24 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 8.6 t -86.0 66.37 9.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.648 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.602 ' ND2' ' H ' ' B' ' 83' ' ' CYS . 17.4 t-20 -141.57 113.84 8.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -12.95 61.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.48 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.68 59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' B' ' 57' ' ' CYS . 0.4 OUTLIER -161.33 139.62 9.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.146 178.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.55 165.83 23.27 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.439 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.77 14.24 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.357 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . 0.41 ' SG ' ' O ' ' B' ' 54' ' ' CYS . 6.6 p -127.14 147.11 60.43 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.377 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.9 -21.29 44.11 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.623 2.216 . . . . 0.0 112.363 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.461 ' H ' HG21 ' B' ' 59' ' ' THR . 1.4 p -71.04 -21.94 62.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.721 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -133.46 132.66 41.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.479 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.68 148.75 24.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -56.32 136.49 53.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.212 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.3 tpp -125.35 172.0 9.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 166.98 22.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.049 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.96 -41.33 99.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.356 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.32 -47.42 82.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.87 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.319 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.15 -38.96 91.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.311 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.11 93.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mm -63.76 -45.14 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.243 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.18 -39.9 94.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.381 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.16 96.25 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.67 -45.25 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.25 -39.97 86.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.811 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 27.8 mt -62.5 -40.47 96.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.072 0.463 . . . . 0.0 110.174 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -62.15 -46.25 89.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.208 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.529 ' O ' ' NZ ' ' A' ' 321' ' ' LYS . 2.3 ttpm? -57.81 -48.36 79.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 12.7 tt -80.74 -11.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.614 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . 0.472 ' OD1' ' NZ ' ' A' ' 321' ' ' LYS . 33.1 m120 54.8 37.65 28.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.15 141.34 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.69 146.76 39.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.624 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.0 123.97 42.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . 0.602 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 79.7 m 41.01 53.68 3.32 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.261 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -114.77 133.68 22.54 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 123.283 0.364 . . . . 0.0 110.865 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.52 149.11 61.52 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.318 2.012 . . . . 0.0 112.077 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.516 ' HD2' ' H ' ' B' ' 86' ' ' HIS . 0.3 OUTLIER -135.63 149.15 68.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.763 179.729 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo . . . . . 0 N--CA 1.495 1.577 0 C-N-CA 122.563 2.176 . . . . 0.0 112.093 179.369 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.84 95.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 40.9 t0 51.77 46.21 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.26 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.47 -40.14 93.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.642 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 51.01 40.4 25.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.622 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 82.5 p -71.01 162.8 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 71.2 m -63.46 143.56 57.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.649 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.91 142.05 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.537 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 59.4 ttm -61.75 -43.13 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.408 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -82.13 -179.34 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 70.5 p -76.1 166.35 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 82.6 p -70.11 161.44 30.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.504 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -132.88 65.61 74.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 152.44 48.49 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.256 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -65.33 137.49 57.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.496 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.11 -39.48 94.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 322' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' A' ' 323' ' ' GLU . 80.9 mm-40 -61.81 153.22 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 323' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 322' ' ' GLU . 62.6 mm-40 82.93 -55.69 0.17 Allowed 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 123.802 0.689 . . . . 0.0 110.884 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.42 -35.86 74.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -65.36 -8.11 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.789 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -58.62 129.11 40.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.407 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -103.42 111.17 23.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 80.6 t -68.3 -38.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 26.0 mmt -64.62 -11.36 34.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.658 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -68.47 -35.42 77.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -116.23 72.48 4.85 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.11 -19.97 68.22 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 122.428 2.085 . . . . 0.0 112.408 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.87 -39.66 92.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.18 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -63.48 -44.87 93.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.46 . . . . 0.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -39.1 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.592 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.5 -42.41 96.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.201 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.0 t -61.78 -43.2 99.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.525 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.06 -43.31 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.105 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.74 -39.51 91.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.82 -40.42 97.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.259 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -59.93 -41.47 91.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 95.8 mt -42.41 106.33 0.46 Allowed Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.173 -179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.66 139.42 76.54 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.025 1.817 . . . . 0.0 112.345 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.82 0.69 89.71 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 67.8 t -127.62 131.08 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -129.83 150.42 75.82 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.71 -17.49 59.23 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.457 2.104 . . . . 0.0 112.161 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.18 -12.16 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -64.68 136.24 56.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.578 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.87 -38.75 92.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.272 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.65 95.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.15 -44.72 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.729 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.32 -46.28 90.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.614 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -62.82 -41.39 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.23 -41.72 97.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.5 mmt -63.78 -39.33 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.438 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 -43.74 98.65 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 358' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 361' ' ' SER . 89.8 p -66.54 -38.23 86.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.598 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.1 tp -62.72 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.111 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.24 95.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.768 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 361' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 358' ' ' SER . 90.1 p -63.71 -38.86 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.1 -39.21 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 98.7 m -102.96 122.78 45.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -67.19 134.95 52.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -68.27 131.01 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 87.27 4.42 81.0 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.48 -43.55 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -99.72 151.84 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.93 142.52 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.79 -42.73 98.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -74.41 143.35 44.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -89.93 146.85 24.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.42 42.62 31.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 375' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 377' ' ' LYS . 56.0 p-10 -58.07 148.74 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.895 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 376' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 375' ' ' ASP . 22.9 pttp 32.05 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.431 0.457 . . . . 0.0 111.071 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 377' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 375' ' ' ASP . 88.4 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.934 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.18 -40.13 95.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.23 -39.87 94.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.34 93.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.423 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.19 93.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.34 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.22 96.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.451 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.662 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -60.91 -43.08 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.849 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.24 -51.26 69.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.7 -44.82 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.233 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.44 -45.21 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.26 -41.3 97.0 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.866 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' TYR . . . . . 0.432 ' OH ' ' O ' ' B' ' 80' ' ' ALA . 25.8 m-85 -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.49 -49.75 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.62 -33.92 74.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.257 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.78 -37.23 85.74 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.482 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.23 -39.78 82.21 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.384 177.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 57.5 p -87.1 -11.78 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.458 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -112.64 -58.78 2.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 98.38 -164.67 21.25 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 103.633 -3.787 . . . . 0.0 103.633 170.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.67 -13.21 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.824 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -17.56 40.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -72.15 129.37 38.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.478 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.77 -39.99 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.535 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.42 106.75 17.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 t -137.16 125.6 23.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' B' ' 50' ' ' THR . 7.0 t -113.47 74.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.6 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASN . . . . . 0.585 ' ND2' ' H ' ' B' ' 84' ' ' ASP . 63.9 t30 -147.04 126.69 13.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.176 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.98 -39.3 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -93.98 61.46 2.99 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 31.0 t -162.98 141.1 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.13 167.68 15.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.468 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.58 -3.88 2.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.15 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 85.6 m -74.4 149.71 86.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.079 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.94 -37.03 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.125 1.883 . . . . 0.0 112.506 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -84.01 -10.36 57.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.919 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -96.61 127.92 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.684 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.9 145.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.3 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.81 147.01 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' B' ' 68' ' ' ALA . 0.0 OUTLIER -139.87 168.06 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.764 -179.533 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.02 161.47 26.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.34 -34.48 73.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.609 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -70.17 -46.43 64.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.245 0.545 . . . . 0.0 110.211 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.11 95.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.036 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . 0.435 ' HB3' ' HE3' ' B' ' 63' ' ' MET . . . -61.88 -39.12 90.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.95 91.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.59 -45.51 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.398 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.071 0.463 . . . . 0.0 109.92 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.7 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.354 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.77 -44.21 96.78 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.353 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -63.01 -39.42 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.2 mt -61.65 -41.15 97.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.17 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -62.62 -47.33 84.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.59 -49.69 75.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 12.5 tt -80.61 -7.33 10.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.686 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 t30 47.08 40.06 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.432 ' O ' ' OH ' ' B' ' 36' ' ' TYR . . . -62.25 142.12 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.345 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -74.13 145.75 44.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.531 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 2.6 mp -97.04 135.49 38.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.82 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 t 41.72 67.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ASP . . . . . 0.585 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 59.9 t0 -132.19 78.44 68.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.405 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.46 145.38 88.63 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.925 2.417 . . . . 0.0 112.072 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' HIS . . . . . 0.412 ' ND1' ' O ' ' B' ' 86' ' ' HIS . 65.1 t-80 52.77 59.93 13.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 C--N 1.308 -1.591 0 C-N-CA 122.71 2.273 . . . . 0.0 112.229 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 C--O 1.228 -0.039 0 CA-C-O 120.884 0.374 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.487 ' CG1' HD21 ' A' ' 335' ' ' LEU . 73.6 t -66.95 -38.49 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.9 mmt -58.89 -20.36 50.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -82.13 1.73 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -130.6 75.08 79.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.062 0.458 . . . . 0.0 110.645 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.5 -33.34 96.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.823 2.348 . . . . 0.0 111.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.34 -45.07 94.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 338' ' ' VAL . 69.1 t80 -65.28 -42.92 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.423 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.9 mt -62.37 -40.49 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -62.11 -42.28 99.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 96.9 p -64.53 -36.34 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 334' ' ' PHE . 60.6 t -61.96 -47.77 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 339' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 339' ' ' LEU . 95.2 mt -62.76 -41.24 99.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.26 -38.16 89.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 341' ' ' ASN . 9.2 m120 -60.15 -37.54 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.365 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.86 141.86 85.09 Favored Pre-proline 0 C--O 1.239 0.514 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.777 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.54 137.27 32.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.403 2.069 . . . . 0.0 112.194 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.95 1.41 84.85 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.8 t -108.57 125.76 65.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.515 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 346' ' ' ASP . . . . . 0.433 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 91.7 m-20 -132.3 148.33 69.29 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.37 -17.81 54.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.858 2.372 . . . . 0.0 112.27 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -83.8 -5.67 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' A' ' 352' ' ' ILE . 92.5 m-20 -71.56 136.11 47.32 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.73 -38.76 92.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.78 96.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' A' ' 349' ' ' ASN . 1.8 mp -63.44 -45.25 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -64.65 -40.58 95.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.63 -41.78 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -39.59 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.99 94.59 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 45.8 t -65.46 -46.2 80.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.738 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.443 ' CD1' ' HZ1' ' B' ' 77' ' ' LYS . 59.5 tp -62.22 -43.12 99.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.734 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.8 0.333 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.72 -42.35 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.3 97.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.28 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.76 98.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -64.18 -42.48 96.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.49 -47.43 85.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.17 -43.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.423 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.12 -42.87 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -62.58 -42.46 99.57 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.448 ' CE2' ' HG ' ' B' ' 82' ' ' LEU . 28.6 m-85 -65.36 -41.91 93.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 90.6 t80 -61.53 -49.08 78.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -67.14 -35.11 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.24 -39.74 95.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 6.7 mp -72.14 -36.98 69.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.943 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 62.8 p -87.02 -9.42 55.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.029 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.5 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 72.9 mm-40 -124.31 -66.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.663 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 95.38 -151.96 20.21 Favored Glycine 0 N--CA 1.466 0.692 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 173.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -100.02 -11.74 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 -17.6 39.64 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -83.25 141.26 31.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.83 -39.1 90.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.27 131.45 42.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.77 136.77 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.0 p -95.36 6.79 48.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -105.69 116.5 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.11 -39.73 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -94.17 60.21 2.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.676 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -150.87 132.15 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.499 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.663 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.16 160.28 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p 75.81 -20.56 0.35 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' B' ' 55' ' ' ALA . 49.1 t -66.75 123.91 87.15 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 -33.72 27.03 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.645 2.23 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 58.9 p -79.63 -18.95 50.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -92.95 137.53 32.28 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -110.49 146.26 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -56.05 139.74 45.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.405 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 51.4 mmm -125.98 158.45 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.69 174.34 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.194 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.87 -40.27 97.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -74.32 -43.06 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.583 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.05 99.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.429 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -66.58 -38.52 87.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.05 91.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.28 -44.96 94.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.13 -40.36 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.042 0.449 . . . . 0.0 110.073 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.47 99.46 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.399 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -44.18 96.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.16 -40.99 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.454 HD23 HD11 ' B' ' 78' ' ' ILE . 24.1 mt -61.1 -38.42 86.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -59.9 -44.51 94.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.538 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.443 ' HZ1' ' CD1' ' A' ' 359' ' ' LEU . 57.6 mtpt -59.3 -42.33 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.454 HD11 HD23 ' B' ' 75' ' ' LEU . 36.3 pt -86.62 -3.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 32.8 m120 52.29 40.41 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.56 24.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.67 145.24 45.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.726 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.466 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.228 -0.075 0 CA-C-O 120.821 0.343 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.0 -32.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.126 0.489 . . . . 0.0 110.6 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -59.63 -20.7 57.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.576 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.33 -0.62 23.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.645 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -130.37 74.81 79.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.747 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 -35.42 92.12 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.738 2.292 . . . . 0.0 112.097 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.44 -41.91 97.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.977 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -64.98 -44.06 90.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.18 -39.75 93.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.477 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.62 -41.55 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.4 m -61.58 -40.07 93.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' VAL . . . . . 0.541 HG11 HG21 ' B' ' 33' ' ' ILE . 65.1 t -61.3 -46.05 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.459 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.7 -40.46 97.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.03 -39.6 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.449 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' B' ' 37' ' ' TYR . 98.6 mt -58.6 139.11 85.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.15 0.5 . . . . 0.0 110.505 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.31 136.78 32.37 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.513 2.142 . . . . 0.0 112.302 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.18 0.81 84.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 345' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' B' ' 69' ' ' ALA . 64.2 t -120.34 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.504 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 346' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 349' ' ' ASN . 26.0 m-20 -139.16 152.04 68.9 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.62 -28.93 13.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 114.372 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.75 -24.09 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 346' ' ' ASP . 40.2 m-20 -52.56 124.17 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 173.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.81 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.95 91.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.79 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -66.61 -41.83 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.74 -42.13 98.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.46 -40.16 92.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.445 ' HB2' HD12 ' B' ' 70' ' ' ILE . . . -63.08 -43.25 99.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.781 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.71 -38.82 92.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -61.42 -45.79 95.69 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.13 -41.63 90.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.789 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.4 tp -63.25 -42.63 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.604 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 -179.688 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.75 -42.74 93.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.29 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.7 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.372 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.36 -45.26 95.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.3 m170 -61.47 -41.65 97.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.2 mm? -61.37 -51.23 69.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.541 HG21 HG11 ' A' ' 338' ' ' VAL . 91.8 mt -60.0 -43.99 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -61.28 -39.62 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.07 -41.57 99.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' B' ' 75' ' ' LEU . 48.0 m-85 -66.13 -42.15 89.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 342' ' ' LEU . 93.4 t80 -60.07 -49.29 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -65.81 -40.96 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -62.29 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.413 HD11 HD22 ' B' ' 75' ' ' LEU . 82.4 mt -66.03 -38.9 89.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.022 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -82.79 -8.72 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -116.68 -99.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 144.51 -163.91 27.8 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.82 -13.63 19.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -18.04 40.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.73 136.11 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.51 127.67 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.8 t -145.05 131.3 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.507 ' O ' HG23 ' B' ' 50' ' ' THR . 6.3 t -110.7 62.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.48 125.04 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.04 -39.69 95.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.753 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -101.64 61.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.65 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -159.35 138.64 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.508 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -70.14 173.04 7.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.488 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m 62.87 16.77 9.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.18 149.1 36.29 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.13 -21.55 67.77 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 C-N-CA 122.915 2.41 . . . . 0.0 112.082 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 80.3 p -99.05 -1.15 40.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' B' ' 63' ' ' MET . 70.2 t80 -104.75 125.76 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.706 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.86 145.0 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.54 147.5 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.372 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' MET . . . . . 0.41 ' HE3' ' CE1' ' B' ' 60' ' ' PHE . 24.3 ptp -150.0 171.32 17.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -84.49 179.81 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -70.43 -40.93 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -48.62 80.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.42 95.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 110.326 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.27 90.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 345' ' ' VAL . . . -61.25 -40.91 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.452 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.445 HD12 ' HB2' ' A' ' 355' ' ' ALA . 43.0 mm -63.13 -46.16 96.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -62.89 -38.96 92.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.128 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.27 97.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.21 -45.08 93.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.211 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.52 -40.61 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp -55.99 -45.58 78.97 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.34 -41.37 93.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.109 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.08 -45.17 87.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.299 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.431 HG23 ' H ' ' B' ' 80' ' ' ALA . 7.6 tt -81.68 -9.56 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 t30 55.44 37.1 28.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.431 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -56.86 141.61 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -74.77 142.96 44.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.09 -38.87 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.213 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.65 -9.12 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.7 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -67.47 -34.48 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.244 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -119.31 86.09 32.41 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.54 -26.28 44.76 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.018 2.479 . . . . 0.0 112.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.8 -39.92 90.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.372 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.06 -47.2 85.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.433 . . . . 0.0 110.205 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.9 -39.44 94.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -61.49 -41.26 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.212 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.3 t -61.31 -41.73 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 338' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' B' ' 30' ' ' LYS . 77.7 t -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.89 -40.39 95.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.268 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.05 -39.15 93.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.465 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -60.96 -36.23 78.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.43 139.98 84.55 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.829 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.52 136.58 31.32 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 121.868 1.712 . . . . 0.0 112.208 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 344' ' ' GLY . . . . . 0.401 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.59 1.59 86.8 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 71.6 t -102.93 124.26 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -129.29 147.66 65.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.735 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -68.94 -20.46 38.77 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.298 1.999 . . . . 0.0 112.155 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.22 -13.63 60.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.49 130.66 45.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -38.89 88.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.13 96.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.53 -46.38 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.28 -40.95 98.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -62.61 -43.0 99.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.625 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.83 -41.79 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.92 -39.75 94.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.313 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.45 97.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.2 p -67.12 -38.69 86.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.92 -44.94 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.65 -41.22 94.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.444 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.95 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.379 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.64 98.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HG3' HG22 ' A' ' 338' ' ' VAL . 88.0 tttt -63.52 -43.04 98.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -61.31 -42.49 98.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.81 -46.57 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.517 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.94 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.17 -46.64 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.576 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 71.6 t80 -62.58 -49.23 76.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.24 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 0.9 OUTLIER -69.25 -39.1 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 176.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.868 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 59.8 tp -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.21 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.8 p -80.73 -55.01 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.31 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.12 -52.82 63.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.668 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 96.29 -166.24 24.27 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 171.144 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 29.2 p -100.69 -11.89 19.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.582 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.49 -17.95 57.41 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -80.05 120.67 24.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.336 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.84 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.56 132.99 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.1 p -96.35 5.0 51.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.97 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -103.05 118.14 36.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.191 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.84 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.298 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.45 59.08 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.505 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -157.56 140.46 15.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.729 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.87 163.44 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.99 0.424 . . . . 0.0 110.383 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.06 18.92 2.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.592 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 151.72 47.23 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.129 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.98 -31.6 46.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.448 2.098 . . . . 0.0 112.451 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.33 8.16 2.95 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 120.596 3.554 . . . . 0.0 120.596 167.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' B' ' 40' ' ' LEU . 72.9 t80 -125.09 127.55 47.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -172.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.84 144.25 40.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.208 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.62 141.82 58.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.385 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.8 ptp -148.13 170.1 18.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.718 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.59 163.27 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASN . . . . . 0.401 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -60.41 -39.92 89.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.527 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -61.84 -49.93 74.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.358 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.576 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -62.57 -38.91 91.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.315 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.19 91.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.625 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -63.84 -44.78 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.427 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -61.71 -42.19 98.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.64 -41.18 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.53 -43.55 98.54 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.31 -39.49 93.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ALA . 24.5 mt -60.61 -40.96 93.76 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.379 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.15 -44.7 94.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.919 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 pt -85.81 -1.83 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 54.56 40.4 31.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.265 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.31 141.39 24.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.01 144.35 47.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.033 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.943 0.401 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 335' ' ' LEU . 90.8 t -65.34 -30.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.467 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.775 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.0 mmt -59.21 -26.19 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.46 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -71.47 -6.0 37.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.591 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -125.49 67.63 57.92 Favored Pre-proline 0 C--O 1.238 0.451 0 CA-C-O 121.325 0.583 . . . . 0.0 110.193 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.32 -29.53 72.67 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.642 2.228 . . . . 0.0 112.133 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.11 -45.13 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.98 -44.19 93.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.185 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.538 HD11 HG12 ' A' ' 328' ' ' VAL . 86.8 mt -62.05 -39.53 92.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.784 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.82 -41.47 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.44 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 70.5 m -61.37 -41.23 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 338' ' ' VAL . . . . . 0.433 HG11 HG21 ' B' ' 33' ' ' ILE . 53.1 t -61.69 -45.14 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.693 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 339' ' ' LEU . . . . . 0.438 HD22 ' HB1' ' B' ' 69' ' ' ALA . 88.4 mt -61.6 -40.74 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.34 -38.03 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -59.02 -38.29 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.211 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.2 mt -57.52 141.94 77.86 Favored Pre-proline 0 N--CA 1.448 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.861 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.55 136.39 33.43 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.417 2.078 . . . . 0.0 112.389 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.9 84.96 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.13 124.63 69.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.276 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -136.87 149.38 66.55 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.64 -19.77 59.91 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.707 2.271 . . . . 0.0 112.252 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -71.5 -17.53 62.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 132.97 54.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.519 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.46 -36.3 82.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.306 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.68 96.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.01 -46.92 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.819 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.73 -45.8 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.28 -38.42 91.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.0 97.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.12 -39.21 92.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.35 97.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 72.5 m -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.775 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.2 tp -60.35 -45.16 94.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.372 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.023 0.44 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.84 -41.93 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.0 98.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.46 98.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -44.41 97.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.54 -43.6 96.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 338' ' ' VAL . 83.1 mt -61.47 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.48 -39.5 94.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -62.78 -42.92 99.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' B' ' 82' ' ' LEU . 37.9 m-85 -66.25 -42.85 88.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 92.1 t80 -62.31 -50.01 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -63.4 -40.85 98.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.02 -38.61 89.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.799 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' B' ' 75' ' ' LEU . 87.2 mt -71.68 -39.08 70.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.054 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' TYR . 77.1 p -80.58 -13.99 58.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.954 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -118.04 -70.63 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 115.52 -152.04 18.2 Favored Glycine 0 N--CA 1.468 0.802 0 N-CA-C 105.015 -3.234 . . . . 0.0 105.015 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 p -99.18 -13.03 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.604 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.22 -18.61 47.69 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.85 143.35 49.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -61.87 -18.48 60.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.5 150.13 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 49.8 t -141.66 137.0 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.463 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -93.04 2.6 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -97.67 118.68 34.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.7 OUTLIER -60.47 -38.87 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.393 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -94.37 59.89 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.2 t -154.07 139.51 17.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.57 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -69.5 161.95 28.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.62 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 151.26 42.02 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.54 -25.15 35.18 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.849 2.366 . . . . 0.0 112.39 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -88.76 16.82 6.22 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 172.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -139.43 124.54 18.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -170.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -102.47 132.42 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.451 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -45.92 136.17 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mmt -114.02 147.75 38.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.97 179.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.117 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.37 -40.67 97.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.715 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.78 -43.55 54.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.5 91.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.472 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -70.48 -37.69 74.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 -175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.438 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.62 -45.37 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.292 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.248 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.39 -44.65 95.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.96 -40.87 91.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.534 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' B' ' 40' ' ' LEU . 20.4 mt -62.42 -41.58 98.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.705 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -45.55 94.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -56.43 -46.88 80.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.415 HG21 HD13 ' B' ' 78' ' ' ILE . 19.2 pt -82.4 -7.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 52.72 41.65 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.702 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.61 138.38 34.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -59.77 144.64 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.631 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' B' ' 36' ' ' TYR . 76.2 mt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' B' ' 29' ' ' ALA . 78.4 t -64.24 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.682 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.29 -23.75 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -84.75 3.58 36.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.78 73.53 54.18 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.987 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.35 -27.61 71.49 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.363 2.042 . . . . 0.0 112.167 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.34 -44.39 96.6 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -67.08 -44.04 81.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.406 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.52 -39.63 94.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -61.6 -41.69 97.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.6 m -62.04 -41.12 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.37 -44.29 98.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.19 -41.04 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.486 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.41 -39.83 95.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -59.38 -36.76 76.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.108 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.4 mt -57.01 144.15 69.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.059 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.72 137.17 34.93 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.114 1.876 . . . . 0.0 112.432 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 73.99 8.14 77.64 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.0 t -111.67 124.32 68.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -130.73 147.93 68.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.78 -20.13 46.29 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -81.26 -0.96 43.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.36 133.64 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.404 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.13 -38.12 85.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.315 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.82 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.34 -46.27 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.4 -39.78 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.602 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.57 -41.81 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.0 mmt -64.42 -38.99 92.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.381 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.31 97.95 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.656 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.89 -45.23 90.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 179.837 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.702 0.287 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.48 -42.53 99.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.711 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.43 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.51 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -62.35 -41.74 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.49 -43.18 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -61.58 -41.5 97.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.1 -45.22 93.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.813 0.34 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.6 -44.15 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.191 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -62.31 -42.17 99.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.72 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.65 -41.62 92.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -61.55 -49.18 77.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.37 -39.05 88.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.646 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' B' ' 60' ' ' PHE . 59.1 tp -66.93 -44.82 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -72.34 -27.44 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.38 -77.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.913 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.606 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 130.29 -149.11 18.85 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 107.518 -2.233 . . . . 0.0 107.518 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -99.52 -8.95 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.47 -17.84 56.39 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.44 147.47 50.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -61.85 -39.91 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.31 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.61 131.26 41.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.263 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 52.3 t -123.63 129.11 50.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.624 HG22 ' O ' ' B' ' 50' ' ' THR . 86.5 m -95.19 56.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -146.59 126.42 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.77 -41.52 97.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.33 60.04 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.715 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 12.2 t -171.53 143.82 1.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.606 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -70.96 -178.75 2.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.016 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.53 9.98 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.14 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.56 120.13 50.39 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.84 -34.95 23.13 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.257 1.971 . . . . 0.0 112.659 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.2 p -70.01 -24.3 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.797 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 80.4 t80 -102.25 134.0 46.24 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -107.83 146.34 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -55.75 138.59 47.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.26 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 67.4 mmm -120.15 157.65 28.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.544 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -72.82 171.32 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.91 -43.08 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -66.73 -45.75 77.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 110.803 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.0 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.769 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.25 89.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.084 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.4 mm -64.96 -44.97 96.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.0 110.406 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -64.51 -39.62 94.12 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.59 -41.06 96.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.77 -44.09 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.437 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.28 -39.48 93.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 72' ' ' ALA . 20.2 mt -60.78 -42.22 97.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.94 0.4 . . . . 0.0 110.355 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.27 -45.16 94.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.15 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -56.26 -47.24 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.363 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -81.99 -4.59 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.635 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.14 41.22 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.77 29.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.029 0.443 . . . . 0.0 110.198 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.59 144.03 46.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.777 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.087 0.47 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.488 ' CG1' HD21 ' A' ' 335' ' ' LEU . 61.6 t -61.71 -39.39 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.499 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.613 ' SD ' HD21 ' A' ' 359' ' ' LEU . 25.0 mmt -64.08 -9.99 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.58 -28.18 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.58 84.51 30.29 Favored Pre-proline 0 C--O 1.237 0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -33.05 83.66 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.827 2.351 . . . . 0.0 111.806 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.08 -41.38 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.067 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 338' ' ' VAL . 73.6 t80 -61.8 -45.44 93.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.441 . . . . 0.0 109.921 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 328' ' ' VAL . 86.6 mt -62.59 -40.04 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.51 -41.52 98.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 94.1 p -62.67 -35.33 79.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.658 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 338' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 334' ' ' PHE . 74.5 t -62.82 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.097 0.475 . . . . 0.0 110.167 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 339' ' ' LEU . . . . . 0.594 HD22 ' HB1' ' B' ' 69' ' ' ALA . 53.7 mt -62.26 -41.75 98.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.02 -39.18 93.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.64 -37.85 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.7 mt -59.29 142.37 86.46 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 136.96 31.86 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.995 1.797 . . . . 0.0 112.332 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.03 2.88 87.76 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.03 126.39 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.368 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -130.92 148.59 70.83 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.12 -18.77 51.39 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.539 2.16 . . . . 0.0 112.137 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -78.72 -0.17 29.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.88 135.93 43.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.056 0.455 . . . . 0.0 110.288 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -64.89 -37.82 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.468 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.62 97.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.816 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -63.53 -43.99 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -60.17 -46.88 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.501 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.71 -38.73 91.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.69 97.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -39.54 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.68 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.19 -43.98 97.79 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 88.9 p -66.98 -39.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.75 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.613 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.1 tp -62.98 -44.35 96.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.426 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.72 0.295 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.47 -42.87 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.31 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.22 97.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.3 95.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -63.92 -43.26 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.82 -45.39 94.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.869 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -42.12 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.725 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.18 -42.72 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.15 -39.9 94.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.45 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.06 -42.74 99.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -66.43 -41.37 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 86.3 t80 -60.95 -50.02 75.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -70.0 -35.17 74.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.005 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.28 -39.25 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.977 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.705 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 78.3 mt -69.89 -41.07 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.283 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 37' ' ' TYR . 73.8 p -75.45 -29.81 59.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -98.23 -58.92 1.86 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -173.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 98.88 -162.25 20.27 Favored Glycine 0 N--CA 1.472 1.056 0 N-CA-C 103.185 -3.966 . . . . 0.0 103.185 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -99.42 -13.14 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.99 46.82 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.15 144.6 46.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.533 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.94 -39.38 94.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.41 137.04 52.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.1 t -134.95 130.79 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.174 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 74.0 p -87.79 -0.16 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -95.45 116.27 28.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.21 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -89.53 58.81 4.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -155.34 142.47 19.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.413 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.71 172.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.085 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m 63.71 20.51 12.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.352 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.76 151.24 45.2 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.408 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.19 -20.78 55.98 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -94.04 16.68 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -148.82 125.61 11.18 Favored 'General case' 0 CA--C 1.454 -2.736 0 CA-C-O 122.275 1.036 . . . . 0.0 108.28 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.64 150.9 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.206 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -57.56 136.22 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.28 160.37 34.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.877 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.18 178.46 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.231 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.69 -42.21 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -63.05 -49.19 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.408 0.623 . . . . 0.0 110.622 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.73 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.285 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -64.14 -38.41 90.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.76 -41.93 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.28 -44.44 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -62.45 -40.14 95.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.899 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.88 -45.04 91.18 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.608 ' O ' HG22 ' B' ' 78' ' ' ILE . 79.1 mm-40 -65.27 -39.77 93.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.579 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -62.11 -43.19 99.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.546 0.688 . . . . 0.0 110.547 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.25 -45.79 91.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.099 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.86 -48.37 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.608 HG22 ' O ' ' B' ' 74' ' ' GLU . 11.7 tt -79.04 -9.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.594 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 54.42 36.84 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.456 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.59 143.28 25.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.05 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -67.22 142.74 56.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.529 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.435 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.514 ' CG1' HD21 ' A' ' 335' ' ' LEU . 78.3 t -59.98 -38.93 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.2 mmt -64.75 -3.79 3.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -123.22 82.42 51.87 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-O 121.154 0.502 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.5 -35.09 91.63 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.842 2.361 . . . . 0.0 111.374 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.57 -39.2 92.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -62.15 -45.2 94.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.023 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.514 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.5 mt -61.62 -39.81 92.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.85 -40.77 96.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 71.3 m -60.9 -39.61 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.25 -45.16 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.228 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 339' ' ' LEU . 89.3 mt -61.07 -40.23 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.227 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.95 -38.86 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.07 -39.25 85.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.194 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' B' ' 37' ' ' TYR . 96.7 mt -56.87 135.18 79.4 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.972 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.0 137.82 32.62 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.256 1.971 . . . . 0.0 112.702 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.35 1.76 86.52 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 65.6 t -112.99 123.73 68.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.241 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -135.37 152.62 76.96 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.839 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.0 -25.5 79.81 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.63 2.22 . . . . 0.0 112.079 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.0 -15.41 62.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 349' ' ' ASN . . . . . 0.424 ' HB2' HD13 ' A' ' 352' ' ' ILE . 87.3 m-20 -66.01 134.66 53.36 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.004 0.43 . . . . 0.0 110.537 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.34 87.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.43 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.21 -43.99 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -61.64 -45.66 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.439 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.05 -38.29 90.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.58 -38.98 91.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.05 98.19 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 71.7 m -65.64 -41.11 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 329' ' ' MET . 61.2 tp -62.03 -44.94 95.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.711 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.372 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.88 92.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.68 98.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.42 -44.85 96.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.62 -45.76 92.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.406 HD12 ' HE1' ' B' ' 76' ' ' TYR . 90.2 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.441 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.12 -44.48 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.63 -40.86 96.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.327 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -62.83 -41.63 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.77 -42.66 94.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.415 ' CD2' HD22 ' A' ' 342' ' ' LEU . 86.7 t80 -60.77 -49.28 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.717 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' B' ' 42' ' ' GLU . 2.7 m-70 -67.79 -33.72 75.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.12 -37.9 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.469 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' B' ' 75' ' ' LEU . 88.3 mt -69.55 -38.53 77.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.23 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -87.82 -11.19 48.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.267 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.463 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 71.6 mm-40 -121.68 -67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 93.33 -152.58 20.96 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 174.33 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 p -99.34 -13.47 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 -18.16 42.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -81.05 142.89 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.07 -38.69 87.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.62 42.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -145.69 135.83 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.344 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.0 p -92.73 2.73 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -104.93 114.23 28.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.494 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -59.95 -38.65 83.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.229 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -92.46 59.45 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 50.9 t -150.53 134.84 17.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.708 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.69 159.71 6.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p 76.31 -21.17 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.047 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' B' ' 55' ' ' ALA . 47.3 t -65.51 127.47 93.01 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -50.13 -36.12 44.6 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.448 2.099 . . . . 0.0 112.295 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.6 p -76.91 -17.38 58.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -91.37 132.03 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.94 145.95 33.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.26 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -61.22 143.87 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.309 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ptp -147.9 171.36 15.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' ND2' ' B' ' 66' ' ' ASN . 1.4 m-20 -80.68 169.3 17.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -35.39 78.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' B' ' 64' ' ' ASP . 1.5 p30 -64.39 -49.36 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.44 95.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.206 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.97 96.18 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.418 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.32 95.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.95 -47.25 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -64.06 -40.09 95.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.62 97.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.28 -44.66 94.43 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.33 -40.01 93.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.495 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' B' ' 40' ' ' LEU . 23.3 mt -60.36 -42.34 95.58 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 123.248 0.343 . . . . 0.0 110.658 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.492 ' OH ' HG21 ' A' ' 328' ' ' VAL . 88.4 t80 -61.1 -45.12 96.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.197 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -57.24 -46.22 83.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.756 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.39 -2.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 57.43 38.94 28.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.37 142.62 21.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -70.19 145.3 51.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 335' ' ' LEU . 92.6 t -66.49 -39.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.3 -35.04 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -71.38 2.49 4.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -128.48 76.83 78.03 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.43 -31.9 92.54 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.645 2.23 . . . . 0.0 111.92 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.4 -43.57 98.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -66.36 -42.96 87.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 328' ' ' VAL . 84.9 mt -62.54 -39.49 93.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.47 -43.04 99.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.266 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 91.0 p -63.4 -37.9 89.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.02 -45.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.92 -39.42 94.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.57 -39.84 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.567 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.02 -41.5 96.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.674 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.6 mt -45.28 107.64 0.67 Allowed Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.39 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.59 140.57 90.25 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.788 1.659 . . . . 0.0 112.095 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.79 2.64 90.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 66.4 t -125.43 129.6 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.77 148.51 62.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -19.94 54.42 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.446 2.097 . . . . 0.0 112.092 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.61 -12.97 60.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.703 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -65.43 141.24 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.006 0.432 . . . . 0.0 110.358 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -64.32 -37.73 88.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.49 97.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.575 HD13 HD11 ' B' ' 70' ' ' ILE . 39.5 mm -64.68 -44.95 96.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.934 0.397 . . . . 0.0 110.551 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.72 -39.84 95.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.588 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.2 mmt -64.7 -39.37 93.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.413 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.97 98.33 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.6 m -64.99 -40.24 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.61 -44.34 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.702 -179.649 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -62.56 -42.41 99.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.96 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.11 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.381 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.28 -44.4 95.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.685 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -60.79 -45.0 96.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.748 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.25 -48.09 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.82 -44.53 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.925 0.393 . . . . 0.0 110.143 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.99 -40.22 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.219 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -61.27 -42.02 97.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.77 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -66.22 -42.6 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.521 ' CZ ' HG21 ' B' ' 41' ' ' THR . 89.1 t80 -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.04 -45.69 91.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.488 ' OE1' HD23 ' B' ' 82' ' ' LEU . 63.1 tt0 -63.56 -38.92 92.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' B' ' 75' ' ' LEU . 82.5 mt -67.53 -39.92 85.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.893 0.378 . . . . 0.0 110.994 177.043 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.521 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 75.7 p -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -127.5 -80.98 0.6 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.801 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.653 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 135.8 -151.76 20.77 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -98.58 -12.77 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.816 0.341 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.81 49.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -72.38 142.28 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.13 -39.54 92.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.471 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.72 131.51 54.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.43 127.74 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -100.16 10.22 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -97.31 119.22 35.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -60.46 -39.16 86.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.538 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -93.51 59.39 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -158.01 139.51 13.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.326 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -67.04 171.94 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.247 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 m 63.69 19.75 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.066 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 40.9 t -106.73 131.38 21.75 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -47.88 -36.49 26.94 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.951 1.767 . . . . 0.0 112.405 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.29 -19.09 54.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -87.81 130.98 34.69 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -99.38 132.56 44.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.192 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -57.67 140.51 51.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.9 162.02 30.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.839 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.09 171.91 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.914 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -46.56 82.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.107 0.48 . . . . 0.0 110.289 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.23 90.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.318 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.49 89.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.91 95.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.588 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -66.18 -43.15 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -62.57 -39.96 95.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.789 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.15 98.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.244 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.26 -44.23 95.73 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -40.64 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' B' ' 40' ' ' LEU . 32.4 mt -64.38 -32.91 74.72 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.75 -41.89 91.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.04 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -42.52 84.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 pt -92.21 -6.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 52.88 39.15 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.096 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.2 142.73 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -73.34 145.23 46.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.487 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.612 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.888 0.375 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 335' ' ' LEU . 85.4 t -69.71 -39.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.684 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -60.47 -34.66 74.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.36 -0.38 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -125.69 69.27 63.28 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.28 -29.47 73.03 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.525 2.15 . . . . 0.0 112.123 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.73 -45.54 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.298 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.9 -43.84 91.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.309 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 328' ' ' VAL . 83.3 mt -61.72 -39.97 93.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.658 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 336' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 347' ' ' PRO . 63.6 tt0 -61.37 -42.29 98.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.409 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.5 t -61.14 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -44.74 99.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.151 0.5 . . . . 0.0 110.399 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.34 -41.65 97.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.281 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.44 -37.08 86.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.281 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.8 -38.84 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.279 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.1 mt -57.58 144.34 72.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.989 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.69 135.31 30.3 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.196 1.931 . . . . 0.0 112.379 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 76.45 7.26 85.16 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.3 t -113.44 124.66 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.368 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -135.95 149.2 67.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.972 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 347' ' ' PRO . . . . . 0.415 ' HB3' HE21 ' A' ' 336' ' ' GLN . 36.4 Cg_endo -65.53 -18.04 58.58 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.605 2.204 . . . . 0.0 112.083 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.68 -9.91 59.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -71.16 138.07 49.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.993 0.425 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.08 -37.23 85.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.89 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.57 -43.61 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.674 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -39.3 93.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.42 96.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.71 -39.22 93.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.33 97.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 97.1 p -68.79 -36.67 78.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.684 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.7 tp -58.55 -45.14 89.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.994 0.426 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -60.02 -43.5 95.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.538 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.12 97.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.522 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.63 98.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -41.83 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.15 -43.79 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.54 -42.51 98.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.594 HD12 ' HE1' ' B' ' 76' ' ' TYR . 89.7 mt -62.35 -45.87 91.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.697 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.55 -43.98 98.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.371 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.93 -43.28 98.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.36 -42.07 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -63.95 -41.33 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.401 ' CD2' HD22 ' A' ' 342' ' ' LEU . 89.8 t80 -60.49 -48.46 81.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.575 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -62.62 -41.87 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -62.38 -37.35 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 111.628 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.55 -39.32 88.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.1 p -88.73 -10.19 49.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -123.5 -71.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.646 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 115.91 -141.42 16.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 105.6 -3.0 . . . . 0.0 105.6 172.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 p -99.59 -10.61 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.95 -17.59 56.26 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.67 144.19 55.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.38 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.2 -39.57 93.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.98 128.32 38.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -134.7 133.02 39.56 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -103.06 77.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -147.17 132.59 18.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.78 -39.53 94.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -105.69 64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -168.4 138.31 2.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.486 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.646 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -69.16 178.42 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.006 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m 63.12 15.99 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 96.6 m -103.14 148.12 35.17 Favored Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.33 -18.23 49.92 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.669 2.246 . . . . 0.0 112.254 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 p -101.81 0.3 35.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -104.96 126.94 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.72 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.39 131.49 51.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.036 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -47.6 139.72 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtt -127.79 154.33 45.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.157 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.25 173.85 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.102 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -61.41 -43.46 98.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.66 -45.86 81.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.531 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.52 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.243 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.02 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.38 89.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.78 -46.19 95.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -64.1 -39.79 94.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.32 96.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.965 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.01 -43.59 98.52 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.693 ' O ' HG22 ' B' ' 78' ' ' ILE . 96.5 mt-10 -63.74 -39.3 93.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.426 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.91 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.562 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.594 ' HE1' HD12 ' B' ' 32' ' ' LEU . 91.7 t80 -64.35 -47.2 80.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.162 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -59.91 -47.95 83.7 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 74' ' ' GLU . 16.2 tt -80.1 -9.35 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.25 38.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.49 143.75 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.73 144.29 50.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.559 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.687 -179.859 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 335' ' ' LEU . 77.4 t -64.86 -39.93 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.528 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.1 mmt -60.53 -35.03 75.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.68 0.93 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.45 66.03 61.33 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.482 . . . . 0.0 110.107 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.32 -29.3 63.45 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.565 2.177 . . . . 0.0 112.222 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.28 -45.95 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.117 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -66.03 -42.44 89.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 328' ' ' VAL . 84.1 mt -61.11 -40.31 93.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.741 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.35 -42.28 98.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -62.63 -40.78 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -46.23 96.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.22 -41.66 98.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.67 -38.67 89.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.512 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.4 mt -57.26 141.77 76.77 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.168 1.912 . . . . 0.0 112.355 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.55 3.48 86.61 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.78 124.98 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.44 149.02 71.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.98 -17.93 51.67 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.626 2.217 . . . . 0.0 112.163 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.15 -9.45 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.628 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -66.07 137.2 56.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.124 0.488 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -65.58 -37.06 85.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.3 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -63.43 -44.85 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.698 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.27 -47.37 86.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.53 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.86 -42.7 99.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.7 mmt -64.34 -39.1 93.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.82 98.59 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.7 t -63.89 -43.24 96.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.954 0.407 . . . . 0.0 110.454 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -61.88 -43.44 98.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.262 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 -179.622 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.236 0.541 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -63.01 -40.42 97.71 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.98 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.6 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.65 91.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.375 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.45 -44.35 95.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -61.36 -41.03 96.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.547 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.5 mm? -63.39 -50.86 68.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.155 0.503 . . . . 0.0 110.558 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.49 -42.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.275 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.69 -40.58 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.81 -41.17 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.574 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' B' ' 82' ' ' LEU . 46.5 m-85 -66.89 -39.68 87.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 41' ' ' THR . 87.7 t80 -60.96 -48.31 82.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.187 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -62.54 -40.6 97.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.284 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.446 ' OE1' HD23 ' B' ' 82' ' ' LEU . 57.6 tt0 -62.53 -39.75 94.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 111.295 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' B' ' 75' ' ' LEU . 96.7 mt -72.73 -38.47 67.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.479 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 72.0 p -85.05 -4.39 59.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.109 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 1.4 tt0 -145.5 -64.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.217 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.3 -132.27 11.18 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 106.869 -2.493 . . . . 0.0 106.869 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -104.94 -14.19 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.14 -17.89 30.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.773 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -39.36 87.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.705 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.73 126.88 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -149.12 138.41 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 73.7 p -97.38 7.02 47.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -106.74 114.52 28.66 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.13 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.62 -39.39 88.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -93.29 59.39 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.22 135.47 17.97 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.976 0.417 . . . . 0.0 110.912 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -55.67 165.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p 67.17 -4.76 0.79 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.444 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' CYS . . . . . 0.402 ' H ' ' C ' ' B' ' 55' ' ' ALA . 48.5 t -86.15 128.31 58.22 Favored Pre-proline 0 CA--C 1.513 -0.461 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.7 -26.28 16.99 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.344 2.029 . . . . 0.0 112.447 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 79.5 p -88.32 9.77 22.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -135.75 131.62 35.78 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -170.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.32 149.51 29.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -53.02 141.88 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.2 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 77.3 mmm -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.819 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.54 171.13 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.845 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.4 -40.22 95.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -73.31 -44.5 58.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.471 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.19 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.14 90.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -64.23 -46.68 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.05 -38.8 92.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.13 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.01 -45.43 89.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.575 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.51 -37.59 85.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.803 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' B' ' 40' ' ' LEU . 19.7 mt -66.34 -39.44 89.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.15 -44.78 94.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.026 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -55.26 -48.26 74.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.6 -3.37 6.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.659 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.45 40.99 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 140.66 20.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.026 0.441 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.38 144.39 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.913 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' B' ' 36' ' ' TYR . 82.8 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.784 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.862 0.363 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.01 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.3 mmt -60.72 -35.34 76.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -72.1 6.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -130.7 75.32 79.0 Favored Pre-proline 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.88 -34.36 96.85 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.794 2.33 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.33 -44.41 95.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.795 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.26 -45.69 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.85 -39.77 94.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.8 -42.4 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 46.9 t -60.66 -43.65 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.88 -45.34 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.64 -38.98 89.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -39.54 94.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.08 -41.52 96.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 7.5 mp -47.99 110.88 1.52 Allowed Pre-proline 0 N--CA 1.447 -0.612 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.3 137.64 71.59 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.275 1.983 . . . . 0.0 112.212 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 344' ' ' GLY . . . . . 0.406 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 81.72 -0.22 88.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 345' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' B' ' 66' ' ' ASN . 58.2 t -121.93 125.95 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -130.56 148.69 71.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.88 -21.47 57.4 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.727 2.284 . . . . 0.0 112.21 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -71.65 -15.28 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.14 140.65 58.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -65.2 -30.49 71.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.15 99.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.328 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.593 HD13 HD11 ' B' ' 70' ' ' ILE . 43.2 mm -65.67 -44.32 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.88 -45.94 92.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.771 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.58 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.62 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.71 -43.09 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 35.9 mmt -64.08 -39.2 93.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.546 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.36 -43.76 98.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 94.8 p -67.51 -35.67 79.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.508 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.08 -45.02 91.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.2 -42.27 99.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.9 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.11 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.1 99.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.84 -41.94 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.11 -43.14 99.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.662 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.81 -45.38 94.08 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.51 -43.65 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.273 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -42.36 99.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.93 -43.33 99.07 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' B' ' 82' ' ' LEU . 34.2 m-85 -64.81 -44.38 90.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.5 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.568 ' CZ ' HG21 ' B' ' 41' ' ' THR . 85.0 t80 -63.16 -48.12 79.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.915 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.14 -47.53 85.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -35.71 79.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' B' ' 60' ' ' PHE . 61.2 tp -67.26 -45.57 76.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.77 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 73.0 p -72.69 -28.04 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -103.14 -78.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.629 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 136.81 -155.26 22.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 108.25 -1.94 . . . . 0.0 108.25 175.329 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 p -98.25 -12.75 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.08 -18.6 39.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -72.19 142.03 49.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.579 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.74 -39.12 93.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.7 134.89 53.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.3 t -138.11 127.66 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 79.0 p -103.94 10.1 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -95.2 115.53 27.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.23 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.73 59.91 2.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.571 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.08 141.65 16.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.629 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -72.63 172.46 10.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.268 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.49 17.77 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.6 t -105.28 131.98 21.28 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -46.77 -36.65 19.89 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.452 2.101 . . . . 0.0 112.371 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.5 p -79.6 -19.94 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.794 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' B' ' 40' ' ' LEU . 66.3 t80 -88.11 131.3 34.75 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 116.536 2.051 . . . . 0.0 116.536 172.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.99 146.28 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -60.75 140.17 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.86 164.58 24.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.746 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.92 166.57 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.599 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASN . . . . . 0.406 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.2 m-20 -63.63 -40.67 97.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 345' ' ' VAL . 0.1 OUTLIER -67.48 -46.86 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 110.288 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.57 97.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.144 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.38 90.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.205 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.79 91.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.4 mm -62.71 -45.04 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -62.74 -39.54 94.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.68 -40.61 95.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.002 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.43 -43.66 98.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.7 mt-10 -64.32 -39.02 93.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 72' ' ' ALA . 46.3 mt -60.5 -40.22 90.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.186 0.517 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.44 -46.11 87.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.284 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -58.68 -46.65 86.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.556 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.575 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.4 tt -81.32 -11.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 59.3 t30 56.62 37.86 29.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.255 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.46 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.46 140.28 34.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.04 140.02 54.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' B' ' 36' ' ' TYR . 35.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.871 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 66.3 t0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.024 0.44 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' B' ' 29' ' ' ALA . 82.3 t -61.67 -41.3 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.457 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.61 -24.77 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -88.77 11.73 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.08 76.46 79.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.32 -37.11 97.47 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.79 2.327 . . . . 0.0 111.979 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -41.69 98.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.54 -44.84 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.86 -40.03 96.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.96 -41.38 97.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -61.2 -39.29 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 338' ' ' VAL . . . . . 0.558 HG11 HG21 ' B' ' 33' ' ' ILE . 59.2 t -62.04 -44.1 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 0.0 110.539 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.52 -40.46 94.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.333 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.77 88.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -59.99 -39.79 86.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.13 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.3 mt -61.15 138.6 94.42 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.21 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.57 137.28 30.05 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.059 1.84 . . . . 0.0 112.773 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.22 2.13 86.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.74 124.11 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.84 0.352 . . . . 0.0 110.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -145.24 153.92 53.16 Favored Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.763 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.17 -22.14 63.09 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.816 2.344 . . . . 0.0 112.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.22 -19.04 63.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.545 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.27 127.39 32.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.337 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.1 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.38 -45.1 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -60.75 -45.95 92.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.62 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.56 -40.57 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.8 mmt -65.14 -39.3 92.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.97 96.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.7 t -64.58 -43.32 94.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.892 0.377 . . . . 0.0 110.406 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.88 88.79 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.475 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -59.28 -46.81 87.54 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.212 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.46 95.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.375 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.453 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -59.62 -44.94 93.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.05 -43.15 93.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -63.91 -42.12 97.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.41 -45.32 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.544 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.558 HG21 HG11 ' A' ' 338' ' ' VAL . 84.6 mt -62.12 -44.79 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.35 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.13 -43.67 98.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' B' ' 39' ' ' GLN . 99.1 mtt180 -62.72 -41.92 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.52 -43.01 98.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.692 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.5 ' CZ ' HG21 ' B' ' 41' ' ' THR . 65.2 t80 -62.37 -49.79 74.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.762 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.18 -38.73 91.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 28.0 tp60 -63.17 -40.08 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 5.4 mp -72.23 -43.12 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 68.5 p -71.85 -29.62 64.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -101.04 -81.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.54 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 129.51 -164.44 22.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 5.1 p -99.48 -9.58 23.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -18.32 57.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.69 139.17 57.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.349 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -63.42 -39.77 95.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.58 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.94 84.19 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.71 137.45 58.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -97.72 7.57 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -103.88 123.59 47.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.182 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.6 -39.67 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -91.52 59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -163.45 144.99 9.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.528 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.54 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -67.02 176.12 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m 64.55 16.83 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.04 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.13 130.13 24.91 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.0 -37.01 21.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.413 2.076 . . . . 0.0 112.417 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.08 -13.56 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.682 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.96 121.8 42.4 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.577 3.151 . . . . 0.0 109.592 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -109.14 140.4 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.375 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.62 136.47 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -129.03 163.74 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.956 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 167.94 15.63 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -45.63 93.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.731 176.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -48.16 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.689 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.9 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.13 77.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.99 94.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.0 mm -61.62 -46.35 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.277 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.12 -39.38 92.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.016 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.63 97.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.142 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.54 -44.01 95.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.51 -40.49 97.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.77 -40.16 91.48 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.236 0.335 . . . . 0.0 110.117 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.12 -41.84 97.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -57.71 -44.21 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.446 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.13 -2.33 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.705 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 52.23 40.53 29.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.336 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.2 138.69 31.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.64 144.28 51.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.99 -35.52 65.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.6 mmt -58.47 -34.36 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.08 1.91 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -129.79 74.43 80.68 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.683 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.39 -33.66 96.62 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.753 2.302 . . . . 0.0 112.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.19 -45.76 92.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.076 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.83 -45.2 93.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.64 -40.08 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -41.77 98.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.32 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 72.8 m -62.36 -41.45 98.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 339' ' ' LEU . . . . . 0.418 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.6 mt -62.18 -41.79 98.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -38.63 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.479 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.84 -36.99 77.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.387 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 342' ' ' LEU . 93.2 mt -59.98 140.89 90.24 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.912 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.49 137.5 36.38 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.894 1.729 . . . . 0.0 112.242 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 344' ' ' GLY . . . . . 0.404 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.55 1.18 86.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.88 125.83 69.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.687 0.279 . . . . 0.0 110.53 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -134.44 149.26 70.61 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.05 -22.39 62.23 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.357 2.038 . . . . 0.0 112.111 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.97 -14.82 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.06 135.89 56.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.098 0.475 . . . . 0.0 110.237 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -64.41 -37.25 86.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.46 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.28 -44.33 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.19 -47.28 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.13 -40.26 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.81 -42.85 99.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -39.78 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.665 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.73 96.39 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.5 m -65.68 -41.92 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -63.9 -44.15 93.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.221 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.36 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -62.95 -41.18 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.39 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.71 95.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.42 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -63.22 -42.68 99.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -46.37 89.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.46 -43.76 98.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.77 -44.95 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.243 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -43.53 98.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.995 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.23 -40.28 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.644 ' O ' HG23 ' B' ' 41' ' ' THR . 93.5 t80 -62.52 -49.62 74.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -64.54 -41.94 96.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -65.06 -42.25 94.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.456 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 54.0 tp -68.82 -42.66 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.644 HG23 ' O ' ' B' ' 37' ' ' TYR . 68.3 p -71.26 -29.32 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -105.43 -76.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.664 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 137.47 -153.96 22.26 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 176.091 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -98.71 -12.63 20.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.682 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.82 -18.12 49.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -71.64 138.93 49.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.622 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.25 -39.75 95.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.552 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.9 126.19 53.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -141.97 129.37 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -113.2 68.68 0.68 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -147.29 125.66 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -62.75 -38.81 92.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.52 60.24 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.636 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 t -162.8 136.97 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.664 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -73.94 173.19 10.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.4 m 63.7 18.61 11.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.988 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 90.0 m -100.91 150.48 37.08 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.191 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.93 -32.43 47.48 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.144 1.896 . . . . 0.0 112.477 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.4 p -92.97 12.67 23.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.058 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -113.14 125.93 54.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 -172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -113.44 138.5 50.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -53.34 128.13 27.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.64 167.93 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.641 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.99 169.4 18.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASN . . . . . 0.404 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -63.88 -41.03 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.732 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -45.0 72.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.035 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.65 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.034 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.144 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.97 -41.56 92.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.524 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -65.59 -44.35 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.52 -40.9 98.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.324 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.28 -43.49 97.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.22 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.03 -39.55 95.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.22 -36.67 84.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.243 0.544 . . . . 0.0 110.176 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.4 -49.08 79.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.636 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -69.07 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.692 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 tt -81.21 -9.46 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.45 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 55.17 39.01 31.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.293 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.71 140.14 36.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -71.03 143.06 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.761 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.81 179.578 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.776 0.322 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.42 -41.82 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.2 mmt -60.63 -35.96 77.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.36 5.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.047 0.451 . . . . 0.0 110.356 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -129.01 75.82 79.95 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.55 -36.57 97.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.764 2.31 . . . . 0.0 111.893 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -62.14 -41.4 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.27 -48.1 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.61 -40.12 96.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.0 m -61.23 -42.46 98.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.673 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.46 -45.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.415 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 339' ' ' LEU . . . . . 0.657 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.2 mt -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.75 -38.03 89.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.546 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -59.2 -37.97 78.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.991 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.8 mt -58.47 142.96 81.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.012 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.5 135.52 31.28 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.129 1.886 . . . . 0.0 112.575 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.64 2.46 85.34 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.0 124.96 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.358 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -134.4 148.5 67.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.48 -19.92 48.36 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.489 2.126 . . . . 0.0 112.257 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.09 -4.66 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.74 138.79 50.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.38 -38.94 91.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.44 92.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.839 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -66.21 -42.61 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.629 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.29 -47.23 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.786 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.99 -39.72 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.533 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.22 98.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -39.46 94.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.09 -43.36 98.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 92.3 p -64.86 -38.49 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.63 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.86 -44.55 92.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.423 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 -179.427 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.99 0.424 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.59 -42.09 99.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.79 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.64 99.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -44.33 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -61.44 -42.92 99.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.53 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.6 mt -62.46 -44.93 95.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.797 0.332 . . . . 0.0 110.115 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.69 -45.43 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.603 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.51 -44.72 93.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.07 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.626 ' CD2' HD21 ' B' ' 82' ' ' LEU . 30.2 m-85 -64.81 -43.63 92.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.698 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' TYR . . . . . 0.406 ' O ' HG23 ' B' ' 41' ' ' THR . 91.3 t80 -62.61 -49.63 74.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.642 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -66.89 -35.27 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.368 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.15 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.899 0.381 . . . . 0.0 111.443 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' B' ' 75' ' ' LEU . 97.2 mt -72.2 -39.13 68.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.091 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 37' ' ' TYR . 59.6 p -82.12 -16.06 51.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . 0.466 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 98.7 mt-10 -115.48 -63.81 1.4 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -174.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.679 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 103.86 -165.88 15.52 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 106.516 -2.634 . . . . 0.0 106.516 174.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.14 -13.28 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.61 -18.24 44.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.09 138.44 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -39.79 95.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.28 125.56 45.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.1 t -150.53 131.24 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.605 ' O ' HG23 ' B' ' 50' ' ' THR . 8.6 t -86.0 66.37 9.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.648 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -141.57 113.84 8.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' OG1' ' B' ' 59' ' ' THR . 0.8 OUTLIER -70.47 -12.95 61.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.48 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.68 59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.33 139.62 9.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.146 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -78.55 165.83 23.27 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.439 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.77 14.24 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.357 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 p -127.14 147.11 60.43 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.9 -21.29 44.11 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.623 2.216 . . . . 0.0 112.363 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.473 ' H ' HG23 ' B' ' 59' ' ' THR . 1.4 p -71.04 -21.94 62.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.721 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -133.46 132.66 41.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.479 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.68 148.75 24.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -56.32 136.49 53.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.212 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.3 tpp -125.35 172.0 9.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 166.98 22.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.049 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.96 -41.33 99.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.356 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.32 -47.42 82.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.87 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.319 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -62.15 -38.96 91.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.311 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ALA . . . . . 0.657 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.95 -42.11 93.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.533 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.5 mm -63.76 -45.14 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.243 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.18 -39.9 94.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.381 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.16 96.25 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.67 -45.25 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.538 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.4 mt-10 -67.25 -39.97 86.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.724 ' CD1' HD11 ' B' ' 40' ' ' LEU . 27.8 mt -62.5 -40.47 96.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.072 0.463 . . . . 0.0 110.174 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.53 ' HE1' HD12 ' B' ' 32' ' ' LEU . 84.3 t80 -62.15 -46.25 89.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.208 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -57.81 -48.36 79.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.538 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.7 tt -80.74 -11.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.614 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.8 37.65 28.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.49 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -57.15 141.34 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.69 146.76 39.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.624 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.915 0.388 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 328' ' ' VAL . . . . . 0.643 HG21 ' OH ' ' B' ' 76' ' ' TYR . 80.6 t -68.3 -38.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 329' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.0 mmt -64.62 -11.36 34.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.658 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -68.47 -35.42 77.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -116.23 72.48 4.85 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.11 -19.97 68.22 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 122.428 2.085 . . . . 0.0 112.408 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.87 -39.66 92.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.18 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -63.48 -44.87 93.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.46 . . . . 0.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 335' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 328' ' ' VAL . 87.5 mt -62.05 -39.1 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.5 -42.41 96.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.201 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.0 t -61.78 -43.2 99.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.525 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.06 -43.31 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.105 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.74 -39.51 91.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.82 -40.42 97.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.259 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -59.93 -41.47 91.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 342' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.8 mt -42.41 106.33 0.46 Allowed Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.173 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.66 139.42 76.54 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.025 1.817 . . . . 0.0 112.345 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.82 0.69 89.71 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 67.8 t -127.62 131.08 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -129.83 150.42 75.82 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.71 -17.49 59.23 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.457 2.104 . . . . 0.0 112.161 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.18 -12.16 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -64.68 136.24 56.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.578 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.87 -38.75 92.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.272 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.65 95.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 352' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.15 -44.72 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.729 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.32 -46.28 90.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.614 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -62.82 -41.39 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 355' ' ' ALA . . . . . 0.495 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.23 -41.72 97.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.5 mmt -63.78 -39.33 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.438 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 -43.74 98.65 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.8 p -66.54 -38.23 86.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 359' ' ' LEU . . . . . 0.407 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.1 tp -62.72 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.111 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.768 -179.58 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.23 -39.87 94.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.34 93.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.423 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.19 93.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.34 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.22 96.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.451 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.662 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -60.91 -43.08 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.849 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.8 mt -61.24 -51.26 69.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.7 -44.82 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.233 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.44 -45.21 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.26 -41.3 97.0 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.866 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' TYR . . . . . 0.55 ' CD2' HD21 ' B' ' 82' ' ' LEU . 25.8 m-85 -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.49 -49.75 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -68.62 -33.92 74.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.257 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -65.78 -37.23 85.74 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.482 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.414 HD11 HD12 ' B' ' 75' ' ' LEU . 82.4 mt -68.23 -39.78 82.21 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.384 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 57.5 p -87.1 -11.78 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.458 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -112.64 -58.78 2.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 98.38 -164.67 21.25 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 103.633 -3.787 . . . . 0.0 103.633 170.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.67 -13.21 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.824 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -17.56 40.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -72.15 129.37 38.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.478 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.77 -39.99 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.535 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.42 106.75 17.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 t -137.16 125.6 23.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' THR . . . . . 0.63 ' O ' HG23 ' B' ' 50' ' ' THR . 7.0 t -113.47 74.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.6 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -147.04 126.69 13.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.98 -39.3 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -93.98 61.46 2.99 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 31.0 t -162.98 141.1 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -85.13 167.68 15.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.468 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.58 -3.88 2.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.15 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 85.6 m -74.4 149.71 86.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.079 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.94 -37.03 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.125 1.883 . . . . 0.0 112.506 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -84.01 -10.36 57.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.919 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -96.61 127.92 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.684 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.9 145.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.3 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.81 147.01 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.87 168.06 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.764 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.02 161.47 26.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.34 -34.48 73.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.609 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -70.17 -46.43 64.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.245 0.545 . . . . 0.0 110.211 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.11 95.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.036 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.12 90.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.95 91.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ILE . . . . . 0.495 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.4 mm -63.59 -45.51 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.398 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.071 0.463 . . . . 0.0 109.92 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.7 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.354 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.77 -44.21 96.78 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.353 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 74' ' ' GLU . . . . . 0.719 ' O ' HG22 ' B' ' 78' ' ' ILE . 98.5 mt-10 -63.01 -39.42 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.414 HD12 HD11 ' B' ' 40' ' ' LEU . 46.2 mt -61.65 -41.15 97.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.17 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' TYR . . . . . 0.643 ' OH ' HG21 ' A' ' 328' ' ' VAL . 87.8 t80 -62.62 -47.33 84.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.59 -49.69 75.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ILE . . . . . 0.719 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.5 tt -80.61 -7.33 10.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.686 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 t30 47.08 40.06 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.463 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -62.25 142.12 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.345 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -74.13 145.75 44.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.531 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LEU . . . . . 0.621 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.82 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 308' ' ' ILE . 1.1 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.2 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.442 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.47 -37.62 78.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 308' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 305' ' ' SER . 87.1 mt -112.57 123.04 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.088 0.47 . . . . 0.0 110.581 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.99 -40.53 95.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.74 90.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 73.8 m -63.16 -40.18 96.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 67.3 m -62.07 141.68 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.642 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 312' ' ' SER . . . 65.18 7.57 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -131.15 135.75 47.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 50.12 38.47 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 94.3 m -113.0 126.55 55.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 66.0 m -128.93 152.23 48.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -138.28 73.52 43.55 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-O 121.486 0.66 . . . . 0.0 110.485 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 139.35 90.37 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.686 2.257 . . . . 0.0 111.976 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -147.39 68.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.83 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -91.1 -109.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.709 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 57.37 -95.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.683 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -52.42 -24.35 7.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.09 -15.83 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.63 -37.07 84.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.81 129.7 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -117.09 125.76 51.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.579 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.487 ' CG1' HD21 ' A' ' 335' ' ' LEU . 73.6 t -66.95 -38.49 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.9 mmt -58.89 -20.36 50.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -82.13 1.73 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -130.6 75.08 79.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.062 0.458 . . . . 0.0 110.645 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.5 -33.34 96.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.823 2.348 . . . . 0.0 111.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.34 -45.07 94.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 338' ' ' VAL . 69.1 t80 -65.28 -42.92 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.423 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.9 mt -62.37 -40.49 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -62.11 -42.28 99.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 96.9 p -64.53 -36.34 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 334' ' ' PHE . 60.6 t -61.96 -47.77 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 339' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 339' ' ' LEU . 95.2 mt -62.76 -41.24 99.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.26 -38.16 89.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ASN . . . . . 0.408 HD21 ' HA ' ' A' ' 341' ' ' ASN . 9.2 m120 -60.15 -37.54 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.365 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.86 141.86 85.09 Favored Pre-proline 0 C--O 1.239 0.514 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.777 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.54 137.27 32.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.403 2.069 . . . . 0.0 112.194 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.95 1.41 84.85 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.8 t -108.57 125.76 65.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.515 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' ASP . . . . . 0.433 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 91.7 m-20 -132.3 148.33 69.29 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.37 -17.81 54.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.858 2.372 . . . . 0.0 112.27 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -83.8 -5.67 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' A' ' 352' ' ' ILE . 92.5 m-20 -71.56 136.11 47.32 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.73 -38.76 92.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.78 96.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' A' ' 349' ' ' ASN . 1.8 mp -63.44 -45.25 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -64.65 -40.58 95.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.63 -41.78 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -39.59 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.99 94.59 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 45.8 t -65.46 -46.2 80.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.738 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.443 ' CD1' ' HZ1' ' B' ' 77' ' ' LYS . 59.5 tp -62.22 -43.12 99.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.97 98.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 47.1 t -62.12 -44.67 96.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.81 -39.93 91.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.13 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 91.5 m -127.5 127.33 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -93.15 127.18 38.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.21 138.19 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -104.24 11.52 51.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.64 139.69 53.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.86 0.362 . . . . 0.0 110.556 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -148.66 137.1 21.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 370' ' ' ASP . . . . . 0.444 ' O ' ' OE2' ' A' ' 374' ' ' GLU . 99.6 m-20 -60.14 139.05 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -102.32 -3.43 27.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -153.93 168.02 27.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.649 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 54.81 41.26 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 374' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 370' ' ' ASP . 78.7 mm-40 -63.53 -39.96 95.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.685 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -91.85 106.48 18.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.41 -44.63 95.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.597 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 14.7 mmt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -61.49 -38.66 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.366 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.72 -42.35 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.3 97.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.28 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.76 98.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -64.18 -42.48 96.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.49 -47.43 85.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.17 -43.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.423 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.12 -42.87 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -62.58 -42.46 99.57 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.448 ' CE2' ' HG ' ' B' ' 82' ' ' LEU . 28.6 m-85 -65.36 -41.91 93.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 90.6 t80 -61.53 -49.08 78.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -67.14 -35.11 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' B' ' 83' ' ' CYS . 54.3 tt0 -63.24 -39.74 95.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 6.7 mp -72.14 -36.98 69.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.943 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 62.8 p -87.02 -9.42 55.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.029 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.5 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 72.9 mm-40 -124.31 -66.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.663 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 95.38 -151.96 20.21 Favored Glycine 0 N--CA 1.466 0.692 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 173.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -100.02 -11.74 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 -17.6 39.64 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -83.25 141.26 31.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.83 -39.1 90.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.27 131.45 42.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.77 136.77 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.0 p -95.36 6.79 48.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -105.69 116.5 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.11 -39.73 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -94.17 60.21 2.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.676 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -150.87 132.15 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.499 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.663 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.16 160.28 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p 75.81 -20.56 0.35 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' B' ' 55' ' ' ALA . 49.1 t -66.75 123.91 87.15 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 -33.72 27.03 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.645 2.23 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 58.9 p -79.63 -18.95 50.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -92.95 137.53 32.28 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -110.49 146.26 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -56.05 139.74 45.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.405 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 51.4 mmm -125.98 158.45 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.69 174.34 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.194 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.87 -40.27 97.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -74.32 -43.06 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.583 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.05 99.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.429 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -66.58 -38.52 87.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.05 91.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.28 -44.96 94.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.13 -40.36 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.042 0.449 . . . . 0.0 110.073 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.47 99.46 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.399 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -44.18 96.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.16 -40.99 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.454 HD23 HD11 ' B' ' 78' ' ' ILE . 24.1 mt -61.1 -38.42 86.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -59.9 -44.51 94.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.538 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.443 ' HZ1' ' CD1' ' A' ' 359' ' ' LEU . 57.6 mtpt -59.3 -42.33 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.454 HD11 HD23 ' B' ' 75' ' ' LEU . 36.3 pt -86.62 -3.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 32.8 m120 52.29 40.41 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.56 24.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.67 145.24 45.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.726 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.466 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp -86.15 155.33 20.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' CYS . . . . . 0.416 ' H ' ' NE2' ' B' ' 39' ' ' GLN . 50.4 t -60.6 -47.63 85.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -70.99 148.72 94.63 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.51 150.52 75.36 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.71 2.273 . . . . 0.0 112.37 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -69.76 148.28 96.54 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo . . . . . 0 C--N 1.307 -1.613 0 C-N-CA 122.737 2.291 . . . . 0.0 112.335 178.889 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -66.44 144.22 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.84 104.56 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.35 134.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.85 -39.46 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.761 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -64.67 137.32 57.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 93.5 p -82.8 -10.45 58.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 82.9 p -70.84 160.32 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.512 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 316' ' ' THR . . . -112.61 143.93 42.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 314' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 317' ' ' SER . 25.2 ptp -57.19 -24.2 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.635 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 317' ' ' SER . 65.4 t0 -59.74 -39.04 83.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 313' ' ' ALA . 7.2 t -41.27 -21.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 317' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 315' ' ' ASP . 88.7 p -148.66 162.11 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.95 64.53 72.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.78 -16.84 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.931 2.421 . . . . 0.0 112.116 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -140.89 159.22 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -72.18 -11.81 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.49 32.28 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.16 -40.85 94.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.759 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.83 -37.32 85.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.22 -37.72 88.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -42.14 127.42 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -117.6 125.88 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.0 -32.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.126 0.489 . . . . 0.0 110.6 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -59.63 -20.7 57.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.576 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.33 -0.62 23.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.645 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -130.37 74.81 79.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.747 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 -35.42 92.12 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.738 2.292 . . . . 0.0 112.097 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.44 -41.91 97.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.977 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -64.98 -44.06 90.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.18 -39.75 93.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.477 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.62 -41.55 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.4 m -61.58 -40.07 93.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' VAL . . . . . 0.541 HG11 HG21 ' B' ' 33' ' ' ILE . 65.1 t -61.3 -46.05 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.459 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.7 -40.46 97.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.03 -39.6 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.449 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' B' ' 37' ' ' TYR . 98.6 mt -58.6 139.11 85.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.15 0.5 . . . . 0.0 110.505 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.31 136.78 32.37 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.513 2.142 . . . . 0.0 112.302 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.18 0.81 84.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' B' ' 69' ' ' ALA . 64.2 t -120.34 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.504 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 346' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 349' ' ' ASN . 26.0 m-20 -139.16 152.04 68.9 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.62 -28.93 13.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 114.372 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.75 -24.09 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 346' ' ' ASP . 40.2 m-20 -52.56 124.17 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 173.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.81 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.95 91.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.79 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -66.61 -41.83 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.74 -42.13 98.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.46 -40.16 92.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.445 ' HB2' HD12 ' B' ' 70' ' ' ILE . . . -63.08 -43.25 99.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.781 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.71 -38.82 92.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -61.42 -45.79 95.69 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.13 -41.63 90.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.789 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.4 tp -63.25 -42.63 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.604 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.42 94.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 73.7 m -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -64.11 -39.43 94.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.55 144.47 57.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 98.1 m -122.77 131.57 53.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.93 138.25 40.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.34 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 175.39 -174.91 47.09 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -130.85 130.23 43.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.349 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.13 153.4 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 55.5 50.58 14.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.24 144.12 51.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -72.34 144.77 48.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -85.94 131.43 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.18 142.98 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -83.64 -179.03 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.493 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -129.97 150.48 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.459 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--O 1.222 -0.378 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.388 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.75 -42.74 93.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.29 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.7 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.372 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.36 -45.26 95.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.3 m170 -61.47 -41.65 97.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.2 mm? -61.37 -51.23 69.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.541 HG21 HG11 ' A' ' 338' ' ' VAL . 91.8 mt -60.0 -43.99 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -61.28 -39.62 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.07 -41.57 99.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' B' ' 75' ' ' LEU . 48.0 m-85 -66.13 -42.15 89.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 342' ' ' LEU . 93.4 t80 -60.07 -49.29 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -65.81 -40.96 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -62.29 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.413 HD11 HD22 ' B' ' 75' ' ' LEU . 82.4 mt -66.03 -38.9 89.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.022 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -82.79 -8.72 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -116.68 -99.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 144.51 -163.91 27.8 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.82 -13.63 19.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -18.04 40.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.73 136.11 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.51 127.67 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.8 t -145.05 131.3 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.507 ' O ' HG23 ' B' ' 50' ' ' THR . 6.3 t -110.7 62.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.48 125.04 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.04 -39.69 95.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.753 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -101.64 61.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.65 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -159.35 138.64 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.508 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -70.14 173.04 7.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.488 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m 62.87 16.77 9.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.18 149.1 36.29 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.13 -21.55 67.77 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 C-N-CA 122.915 2.41 . . . . 0.0 112.082 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 80.3 p -99.05 -1.15 40.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' B' ' 63' ' ' MET . 70.2 t80 -104.75 125.76 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.706 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.86 145.0 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.54 147.5 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.372 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' MET . . . . . 0.41 ' HE3' ' CE1' ' B' ' 60' ' ' PHE . 24.3 ptp -150.0 171.32 17.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -84.49 179.81 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -70.43 -40.93 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -48.62 80.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.42 95.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 110.326 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.27 90.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 345' ' ' VAL . . . -61.25 -40.91 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.452 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.445 HD12 ' HB2' ' A' ' 355' ' ' ALA . 43.0 mm -63.13 -46.16 96.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -62.89 -38.96 92.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.128 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.27 97.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.21 -45.08 93.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.211 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.52 -40.61 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp -55.99 -45.58 78.97 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.34 -41.37 93.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.109 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.08 -45.17 87.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.299 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.431 HG23 ' H ' ' B' ' 80' ' ' ALA . 7.6 tt -81.68 -9.56 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 t30 55.44 37.1 28.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.431 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -56.86 141.61 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -74.77 142.96 44.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.83 151.85 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.28 -46.15 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.55 148.02 95.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.25 149.95 76.24 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -132.86 75.28 72.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.305 -1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 112.161 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.42 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.62 143.96 57.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 84.7 mt -115.97 124.61 72.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.12 -178.49 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.746 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.21 38.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 42.8 t -64.13 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 68.9 m -68.01 145.36 54.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -153.41 154.1 33.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.0 ttp -133.17 129.58 38.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.532 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.09 148.86 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 81.1 p -70.33 -17.17 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.457 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 92.8 p -71.61 -13.25 61.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 57.79 59.68 6.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.22 152.62 56.13 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.786 2.324 . . . . 0.0 112.233 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -63.34 144.3 57.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -80.03 171.54 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.577 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 52.45 41.67 30.91 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.948 0.404 . . . . 0.0 110.581 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.495 ' HG3' ' HZ1' ' B' ' 25' ' ' LYS . 24.5 pt-20 -62.32 -21.11 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.769 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.96 -20.92 66.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.455 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.04 -37.32 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -55.59 129.15 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.67 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -119.79 124.54 46.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.347 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.09 -38.87 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.213 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.65 -9.12 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.7 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -67.47 -34.48 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.244 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -119.31 86.09 32.41 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.54 -26.28 44.76 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.018 2.479 . . . . 0.0 112.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.8 -39.92 90.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.372 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.06 -47.2 85.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.433 . . . . 0.0 110.205 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.9 -39.44 94.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -61.49 -41.26 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.212 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.3 t -61.31 -41.73 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 338' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' B' ' 30' ' ' LYS . 77.7 t -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.89 -40.39 95.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.268 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.05 -39.15 93.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.465 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -60.96 -36.23 78.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.43 139.98 84.55 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.829 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.52 136.58 31.32 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 121.868 1.712 . . . . 0.0 112.208 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.401 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.59 1.59 86.8 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 71.6 t -102.93 124.26 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -129.29 147.66 65.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.735 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -68.94 -20.46 38.77 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.298 1.999 . . . . 0.0 112.155 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.22 -13.63 60.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.49 130.66 45.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -38.89 88.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.13 96.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.53 -46.38 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.28 -40.95 98.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -62.61 -43.0 99.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.625 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.83 -41.79 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.92 -39.75 94.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.313 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.45 97.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.2 p -67.12 -38.69 86.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.92 -44.94 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.7 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 73.8 m -62.24 -41.77 98.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.25 -40.2 95.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.628 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.31 97.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.514 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 59.3 p -82.51 164.7 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.62 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.92 134.11 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -88.56 105.39 17.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 178.11 -179.51 48.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -73.07 144.1 47.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.794 0.33 . . . . 0.0 110.686 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.89 146.07 46.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 370' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 371' ' ' LYS . 59.4 p30 -64.37 -13.93 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 371' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 370' ' ' ASP . 88.1 tttt -61.3 -40.56 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -126.86 148.31 49.99 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -150.25 154.32 37.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.597 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.16 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -93.17 102.13 14.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -60.88 -23.54 65.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.75 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 62.0 pttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.68 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.5 mmm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HZ1' ' HG3' ' A' ' 323' ' ' GLU . 6.7 tppt? -62.39 -40.75 97.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.65 -41.22 94.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.444 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.95 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.379 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.64 98.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HG3' HG22 ' A' ' 338' ' ' VAL . 88.0 tttt -63.52 -43.04 98.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -61.31 -42.49 98.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.81 -46.57 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.517 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.94 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.17 -46.64 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.576 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 71.6 t80 -62.58 -49.23 76.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -64.24 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 0.9 OUTLIER -69.25 -39.1 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 176.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.868 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 59.8 tp -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.21 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.8 p -80.73 -55.01 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.31 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.12 -52.82 63.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.668 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 96.29 -166.24 24.27 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 171.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 29.2 p -100.69 -11.89 19.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.582 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.49 -17.95 57.41 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -80.05 120.67 24.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.336 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.84 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.56 132.99 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.1 p -96.35 5.0 51.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.97 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -103.05 118.14 36.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.191 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.84 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.298 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.45 59.08 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.505 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -157.56 140.46 15.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.729 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.87 163.44 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.99 0.424 . . . . 0.0 110.383 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.06 18.92 2.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.592 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 151.72 47.23 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.129 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.98 -31.6 46.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.448 2.098 . . . . 0.0 112.451 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.33 8.16 2.95 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 120.596 3.554 . . . . 0.0 120.596 167.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' B' ' 40' ' ' LEU . 72.9 t80 -125.09 127.55 47.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -172.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.84 144.25 40.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.208 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.62 141.82 58.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.385 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.8 ptp -148.13 170.1 18.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.718 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.59 163.27 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASN . . . . . 0.401 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -60.41 -39.92 89.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.527 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -61.84 -49.93 74.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.358 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.576 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -62.57 -38.91 91.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.315 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.19 91.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.625 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -63.84 -44.78 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.427 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -61.71 -42.19 98.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.64 -41.18 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.53 -43.55 98.54 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.31 -39.49 93.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ALA . 24.5 mt -60.61 -40.96 93.76 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.379 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.15 -44.7 94.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.919 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 pt -85.81 -1.83 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 54.56 40.4 31.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.265 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.31 141.39 24.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.01 144.35 47.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.08 152.66 39.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' CYS . . . . . 0.408 ' HB3' ' NE2' ' B' ' 39' ' ' GLN . 52.8 t -59.66 -48.56 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -129.46 147.67 66.12 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.07 153.51 72.0 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.397 2.064 . . . . 0.0 112.073 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -69.74 148.86 96.73 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.494 1.533 0 C-N-CA 122.339 2.026 . . . . 0.0 112.201 179.35 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.3 94.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.91 -40.13 94.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.37 -45.5 98.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.37 -39.23 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 52.14 -101.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 83.2 p -71.81 160.72 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 312' ' ' SER . . . . . 0.492 ' OG ' ' SD ' ' A' ' 314' ' ' MET . 98.3 p -155.27 166.94 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.47 96.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' MET . . . . . 0.492 ' SD ' ' OG ' ' A' ' 312' ' ' SER . 93.8 mmm 56.85 43.06 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.82 146.68 53.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.517 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.5 m -113.37 125.31 54.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.462 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 64.1 m -72.99 148.66 44.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.576 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 320' ' ' ALA . 74.0 mm-40 -129.63 148.5 69.67 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.624 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -45.87 -10.06 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.833 2.355 . . . . 0.0 112.155 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 318' ' ' GLU . . . -59.9 -38.27 81.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.542 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 323' ' ' GLU . 26.3 pttm -55.73 -158.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 54.81 -82.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 321' ' ' LYS . 16.5 tm-20 -60.71 -44.16 96.92 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.71 0.29 . . . . 0.0 110.529 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -64.48 -43.05 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 326' ' ' TYR . 99.6 m-20 -63.12 -39.8 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 326' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 326' ' ' TYR . 69.1 t80 39.4 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.653 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.08 115.07 15.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 335' ' ' LEU . 90.8 t -65.34 -30.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.467 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.775 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.0 mmt -59.21 -26.19 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.46 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -71.47 -6.0 37.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.591 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -125.49 67.63 57.92 Favored Pre-proline 0 C--O 1.238 0.451 0 CA-C-O 121.325 0.583 . . . . 0.0 110.193 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.32 -29.53 72.67 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.642 2.228 . . . . 0.0 112.133 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.11 -45.13 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.98 -44.19 93.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.185 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.538 HD11 HG12 ' A' ' 328' ' ' VAL . 86.8 mt -62.05 -39.53 92.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.784 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.82 -41.47 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.44 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 70.5 m -61.37 -41.23 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 338' ' ' VAL . . . . . 0.433 HG11 HG21 ' B' ' 33' ' ' ILE . 53.1 t -61.69 -45.14 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.693 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 339' ' ' LEU . . . . . 0.438 HD22 ' HB1' ' B' ' 69' ' ' ALA . 88.4 mt -61.6 -40.74 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.34 -38.03 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -59.02 -38.29 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.211 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.2 mt -57.52 141.94 77.86 Favored Pre-proline 0 N--CA 1.448 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.861 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.55 136.39 33.43 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.417 2.078 . . . . 0.0 112.389 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.9 84.96 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.13 124.63 69.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.276 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -136.87 149.38 66.55 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.64 -19.77 59.91 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.707 2.271 . . . . 0.0 112.252 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -71.5 -17.53 62.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 132.97 54.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.519 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.46 -36.3 82.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.306 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.68 96.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.01 -46.92 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.819 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.73 -45.8 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.28 -38.42 91.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.0 97.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.12 -39.21 92.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.35 97.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 72.5 m -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.775 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.2 tp -60.35 -45.16 94.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.372 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -85.88 -7.4 58.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 3.8 t 49.8 40.25 19.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -63.08 -39.86 95.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.696 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.54 94.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 364' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 366' ' ' ASP . 61.5 m -63.78 133.93 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.45 -17.18 64.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.874 ' H ' HG22 ' A' ' 364' ' ' THR . 96.9 m-20 56.1 39.25 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -85.97 -172.72 48.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.19 -39.79 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.95 42.24 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.78 142.9 57.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 371' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 374' ' ' GLU . 58.8 mtpt -128.82 151.77 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.72 156.31 27.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 55.31 55.24 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.651 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 374' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 371' ' ' LYS . 74.3 mm-40 -62.59 147.11 50.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -85.95 105.52 16.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -61.97 -39.83 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.562 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.023 0.44 . . . . 0.0 110.358 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.84 -41.93 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.0 98.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.46 98.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -44.41 97.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.54 -43.6 96.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 338' ' ' VAL . 83.1 mt -61.47 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.48 -39.5 94.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -62.78 -42.92 99.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' B' ' 82' ' ' LEU . 37.9 m-85 -66.25 -42.85 88.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 92.1 t80 -62.31 -50.01 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -63.4 -40.85 98.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.02 -38.61 89.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.799 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' B' ' 75' ' ' LEU . 87.2 mt -71.68 -39.08 70.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.054 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' TYR . 77.1 p -80.58 -13.99 58.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.954 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -118.04 -70.63 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 115.52 -152.04 18.2 Favored Glycine 0 N--CA 1.468 0.802 0 N-CA-C 105.015 -3.234 . . . . 0.0 105.015 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 p -99.18 -13.03 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.604 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.22 -18.61 47.69 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.85 143.35 49.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -61.87 -18.48 60.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.5 150.13 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 49.8 t -141.66 137.0 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.463 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -93.04 2.6 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -97.67 118.68 34.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.7 OUTLIER -60.47 -38.87 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.393 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -94.37 59.89 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.2 t -154.07 139.51 17.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.57 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -69.5 161.95 28.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.62 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 151.26 42.02 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.54 -25.15 35.18 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.849 2.366 . . . . 0.0 112.39 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -88.76 16.82 6.22 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 172.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -139.43 124.54 18.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -170.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -102.47 132.42 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.451 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -45.92 136.17 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mmt -114.02 147.75 38.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.97 179.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.117 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.37 -40.67 97.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.715 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.78 -43.55 54.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.5 91.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.472 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -70.48 -37.69 74.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 -175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.438 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.62 -45.37 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.292 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.248 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.39 -44.65 95.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.96 -40.87 91.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.534 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' B' ' 40' ' ' LEU . 20.4 mt -62.42 -41.58 98.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.705 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -45.55 94.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -56.43 -46.88 80.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.415 HG21 HD13 ' B' ' 78' ' ' ILE . 19.2 pt -82.4 -7.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 52.72 41.65 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.702 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.61 138.38 34.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -59.77 144.64 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.631 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' B' ' 36' ' ' TYR . 76.2 mt -84.67 152.79 23.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.68 -46.95 88.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.694 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -130.72 77.73 75.09 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.1 141.37 96.36 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.754 2.303 . . . . 0.0 111.772 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.626 ' N ' ' CD ' ' B' ' 87' ' ' PRO . 0.5 OUTLIER -65.05 -42.58 62.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 179.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' B' ' 86' ' ' HIS . 32.5 Cg_exo . . . . . 0 C--N 1.308 -1.555 0 C-N-CA 122.742 2.295 . . . . 0.0 112.172 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.84 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.378 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.37 141.82 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.53 155.95 40.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.759 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.84 142.37 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.86 94.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 46.6 t -60.89 -44.3 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 89.9 p -63.03 -37.9 89.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.527 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 316' ' ' THR . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 62.6 mtt -64.2 -39.69 94.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -60.74 -45.08 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.744 HG22 ' H ' ' A' ' 318' ' ' GLU . 63.2 m -124.46 128.25 48.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 87.3 p -72.1 -15.47 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' GLU . . . . . 0.744 ' H ' HG22 ' A' ' 316' ' ' THR . 85.6 tt0 -131.6 78.98 69.96 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.566 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -55.68 -18.69 21.58 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.143 2.562 . . . . 0.0 111.791 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.67 85.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.888 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -59.88 -47.79 84.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.673 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.51 -35.66 75.71 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.468 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.45 -41.49 93.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.57 -36.76 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 53.4 t0 -63.41 -15.42 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.01 126.03 11.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.478 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -112.72 121.67 45.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' B' ' 29' ' ' ALA . 78.4 t -64.24 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.682 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.29 -23.75 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -84.75 3.58 36.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.78 73.53 54.18 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.987 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.35 -27.61 71.49 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.363 2.042 . . . . 0.0 112.167 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.34 -44.39 96.6 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -67.08 -44.04 81.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.406 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.52 -39.63 94.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -61.6 -41.69 97.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.6 m -62.04 -41.12 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.37 -44.29 98.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.19 -41.04 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.486 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.41 -39.83 95.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -59.38 -36.76 76.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.108 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.4 mt -57.01 144.15 69.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.059 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.72 137.17 34.93 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.114 1.876 . . . . 0.0 112.432 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 73.99 8.14 77.64 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.0 t -111.67 124.32 68.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -130.73 147.93 68.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.78 -20.13 46.29 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -81.26 -0.96 43.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -69.36 133.64 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.404 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.13 -38.12 85.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.315 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.82 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.34 -46.27 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.4 -39.78 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.602 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.57 -41.81 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.0 mmt -64.42 -38.99 92.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.381 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.31 97.95 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.656 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.89 -45.23 90.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -88.2 -9.45 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.2 m 50.52 43.95 27.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.451 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -98.04 85.11 3.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.689 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 363' ' ' ALA . . . . . 0.516 ' O ' ' O ' ' A' ' 364' ' ' THR . . . -150.42 151.76 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 364' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 363' ' ' ALA . 67.0 p 45.7 178.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.654 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.99 -49.01 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.15 80.01 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.64 128.81 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.64 144.24 41.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.37 -38.73 90.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 56.19 36.98 28.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.708 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 51.54 36.96 18.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.583 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 45.84 36.25 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.78 129.67 40.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 375' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 375' ' ' ASP . 51.5 p-10 -84.78 -174.26 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.575 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -126.39 145.57 50.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 110.385 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.317 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -61.79 -39.9 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.48 -42.53 99.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.711 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.43 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.51 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -62.35 -41.74 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.49 -43.18 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 30.8 m80 -61.58 -41.5 97.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.1 -45.22 93.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.813 0.34 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.6 -44.15 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.191 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -62.31 -42.17 99.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.72 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.65 -41.62 92.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -61.55 -49.18 77.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.37 -39.05 88.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.646 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' B' ' 60' ' ' PHE . 59.1 tp -66.93 -44.82 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -72.34 -27.44 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.38 -77.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.913 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.606 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 130.29 -149.11 18.85 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 107.518 -2.233 . . . . 0.0 107.518 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -99.52 -8.95 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.47 -17.84 56.39 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.44 147.47 50.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -61.85 -39.91 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.31 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.61 131.26 41.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.263 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 52.3 t -123.63 129.11 50.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.624 HG22 ' O ' ' B' ' 50' ' ' THR . 86.5 m -95.19 56.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -146.59 126.42 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.77 -41.52 97.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.33 60.04 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.715 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 12.2 t -171.53 143.82 1.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.606 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -70.96 -178.75 2.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.016 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.53 9.98 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.14 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.56 120.13 50.39 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.84 -34.95 23.13 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.257 1.971 . . . . 0.0 112.659 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.2 p -70.01 -24.3 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.797 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 80.4 t80 -102.25 134.0 46.24 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -107.83 146.34 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -55.75 138.59 47.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.26 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 67.4 mmm -120.15 157.65 28.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.544 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -72.82 171.32 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.91 -43.08 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -66.73 -45.75 77.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 110.803 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.0 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.769 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.25 89.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.084 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.4 mm -64.96 -44.97 96.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.0 110.406 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -64.51 -39.62 94.12 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.59 -41.06 96.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.77 -44.09 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.437 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.28 -39.48 93.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 72' ' ' ALA . 20.2 mt -60.78 -42.22 97.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.94 0.4 . . . . 0.0 110.355 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.27 -45.16 94.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.15 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -56.26 -47.24 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.363 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -81.99 -4.59 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.635 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.14 41.22 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.77 29.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.029 0.443 . . . . 0.0 110.198 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.59 144.03 46.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.777 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.25 146.87 42.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.83 -47.4 86.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.03 150.71 97.49 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -49.71 140.23 30.0 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.123 1.882 . . . . 0.0 112.213 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.64 148.67 96.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 N--CA 1.495 1.6 0 C-N-CA 122.516 2.144 . . . . 0.0 112.133 179.632 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -149.9 154.05 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.553 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -84.0 -177.91 6.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 308' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 310' ' ' ALA . 87.8 mt -118.33 125.09 74.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.651 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.77 8.39 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 310' ' ' ALA . . . . . 0.77 ' H ' HG22 ' A' ' 308' ' ' ILE . . . -62.18 141.47 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 69.4 m -70.03 149.65 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.724 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.5 m -61.6 -40.06 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -150.47 150.86 31.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -91.38 100.65 13.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 68.1 p -67.21 -12.81 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 73.2 m -63.87 -38.97 93.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' GLU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 319' ' ' PRO . 8.6 mt-10 -54.31 -63.61 2.6 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 318' ' ' GLU . 28.2 Cg_endo -61.6 -28.29 82.65 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.338 2.025 . . . . 0.0 112.428 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.68 78.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -48.78 -26.78 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.23 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -72.11 124.76 25.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.201 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.45 -39.27 88.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.75 -36.79 77.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.2 -10.25 30.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.673 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -49.0 128.43 16.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -112.82 126.09 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.274 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.488 ' CG1' HD21 ' A' ' 335' ' ' LEU . 61.6 t -61.71 -39.39 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.499 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.613 ' SD ' HD21 ' A' ' 359' ' ' LEU . 25.0 mmt -64.08 -9.99 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.58 -28.18 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.58 84.51 30.29 Favored Pre-proline 0 C--O 1.237 0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -33.05 83.66 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.827 2.351 . . . . 0.0 111.806 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.08 -41.38 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.067 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 338' ' ' VAL . 73.6 t80 -61.8 -45.44 93.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.441 . . . . 0.0 109.921 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 328' ' ' VAL . 86.6 mt -62.59 -40.04 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.51 -41.52 98.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 94.1 p -62.67 -35.33 79.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.658 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 338' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 334' ' ' PHE . 74.5 t -62.82 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.097 0.475 . . . . 0.0 110.167 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 339' ' ' LEU . . . . . 0.594 HD22 ' HB1' ' B' ' 69' ' ' ALA . 53.7 mt -62.26 -41.75 98.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.02 -39.18 93.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.64 -37.85 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.7 mt -59.29 142.37 86.46 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 136.96 31.86 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.995 1.797 . . . . 0.0 112.332 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.03 2.88 87.76 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.03 126.39 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.368 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -130.92 148.59 70.83 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.12 -18.77 51.39 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.539 2.16 . . . . 0.0 112.137 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -78.72 -0.17 29.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.88 135.93 43.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.056 0.455 . . . . 0.0 110.288 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -64.89 -37.82 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.468 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.62 97.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.816 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -63.53 -43.99 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -60.17 -46.88 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.501 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.71 -38.73 91.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.69 97.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -39.54 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.68 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.19 -43.98 97.79 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 88.9 p -66.98 -39.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.75 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.613 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.1 tp -62.98 -44.35 96.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.426 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.27 94.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.5 m -62.5 -41.65 98.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -62.64 -40.62 97.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.713 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.665 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 69.0 p -81.12 159.88 24.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.77 -20.7 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.323 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.47 -40.15 85.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.375 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.72 99.57 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.14 -40.47 97.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.54 -39.86 94.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 53.1 t0 52.54 46.51 26.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.18 129.63 40.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -63.75 131.39 47.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -76.48 143.61 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -129.84 141.95 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -93.71 103.3 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 44.85 -125.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.538 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -61.77 -39.4 91.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.591 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.47 -42.87 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.31 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.22 97.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.3 95.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -63.92 -43.26 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.82 -45.39 94.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.869 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -42.12 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.725 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.18 -42.72 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.15 -39.9 94.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.45 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.06 -42.74 99.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -66.43 -41.37 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 86.3 t80 -60.95 -50.02 75.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -70.0 -35.17 74.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.005 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.28 -39.25 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.977 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.705 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 78.3 mt -69.89 -41.07 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.283 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 37' ' ' TYR . 73.8 p -75.45 -29.81 59.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -98.23 -58.92 1.86 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -173.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 98.88 -162.25 20.27 Favored Glycine 0 N--CA 1.472 1.056 0 N-CA-C 103.185 -3.966 . . . . 0.0 103.185 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -99.42 -13.14 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.99 46.82 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.15 144.6 46.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.533 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.94 -39.38 94.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.41 137.04 52.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.1 t -134.95 130.79 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.174 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 74.0 p -87.79 -0.16 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -95.45 116.27 28.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.21 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -89.53 58.81 4.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -155.34 142.47 19.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.413 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.71 172.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.085 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m 63.71 20.51 12.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.352 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.76 151.24 45.2 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.408 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.19 -20.78 55.98 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -94.04 16.68 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -148.82 125.61 11.18 Favored 'General case' 0 CA--C 1.454 -2.736 0 CA-C-O 122.275 1.036 . . . . 0.0 108.28 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.64 150.9 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.206 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -57.56 136.22 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.28 160.37 34.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.877 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.18 178.46 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.231 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.69 -42.21 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -63.05 -49.19 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.408 0.623 . . . . 0.0 110.622 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.73 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.285 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -64.14 -38.41 90.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.76 -41.93 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.28 -44.44 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -62.45 -40.14 95.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.899 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.88 -45.04 91.18 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.608 ' O ' HG22 ' B' ' 78' ' ' ILE . 79.1 mm-40 -65.27 -39.77 93.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.579 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -62.11 -43.19 99.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.546 0.688 . . . . 0.0 110.547 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.25 -45.79 91.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.099 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.86 -48.37 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.608 HG22 ' O ' ' B' ' 74' ' ' GLU . 11.7 tt -79.04 -9.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.594 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 54.42 36.84 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.456 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.59 143.28 25.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.05 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -67.22 142.74 56.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.529 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.435 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp -79.14 151.77 31.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.731 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.53 -46.75 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.266 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -69.88 151.98 96.12 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.764 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -50.88 139.31 41.07 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.154 1.902 . . . . 0.0 112.229 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -132.8 73.01 76.61 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--N 1.307 -1.643 0 C-N-CA 122.807 2.338 . . . . 0.0 112.132 179.77 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 305' ' ' SER . . . . . 0.502 ' N ' HD12 ' A' ' 308' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.43 90.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.606 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.72 -40.64 95.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.681 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 308' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 305' ' ' SER . 85.4 mt -62.65 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.762 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.79 -39.77 90.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 56.43 44.95 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 68.0 m -123.26 145.7 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 41.5 t -64.09 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.94 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.37 -39.56 93.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 316' ' ' THR . 98.7 m-20 -63.83 147.87 50.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.434 ' CB ' ' O ' ' A' ' 315' ' ' ASP . 0.2 OUTLIER 75.81 134.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.674 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 62.7 m 51.87 41.98 29.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.747 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 319' ' ' PRO . 3.0 mm-40 -60.58 -60.31 11.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 318' ' ' GLU . 27.3 Cg_endo -62.85 -23.82 74.33 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.634 2.223 . . . . 0.0 112.008 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -94.34 129.59 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.293 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.41 162.54 32.78 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -79.52 141.55 36.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.935 0.397 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.97 -33.64 74.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.01 -17.14 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -73.12 -9.89 59.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' TYR . . . . . 0.688 ' CE2' ' HB3' ' B' ' 25' ' ' LYS . 10.6 p90 -39.83 136.39 1.08 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.071 0.463 . . . . 0.0 110.52 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -88.09 118.35 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.514 ' CG1' HD21 ' A' ' 335' ' ' LEU . 78.3 t -59.98 -38.93 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.2 mmt -64.75 -3.79 3.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -123.22 82.42 51.87 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-O 121.154 0.502 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.5 -35.09 91.63 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.842 2.361 . . . . 0.0 111.374 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.57 -39.2 92.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -62.15 -45.2 94.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.023 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.514 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.5 mt -61.62 -39.81 92.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.85 -40.77 96.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 71.3 m -60.9 -39.61 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.25 -45.16 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.228 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 339' ' ' LEU . 89.3 mt -61.07 -40.23 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.227 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.95 -38.86 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.07 -39.25 85.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.194 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' B' ' 37' ' ' TYR . 96.7 mt -56.87 135.18 79.4 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.972 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.0 137.82 32.62 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.256 1.971 . . . . 0.0 112.702 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.35 1.76 86.52 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 65.6 t -112.99 123.73 68.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.241 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -135.37 152.62 76.96 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.839 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.0 -25.5 79.81 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.63 2.22 . . . . 0.0 112.079 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.0 -15.41 62.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' ASN . . . . . 0.424 ' HB2' HD13 ' A' ' 352' ' ' ILE . 87.3 m-20 -66.01 134.66 53.36 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.004 0.43 . . . . 0.0 110.537 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.34 87.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.43 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.21 -43.99 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -61.64 -45.66 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.439 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.05 -38.29 90.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.58 -38.98 91.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.05 98.19 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 71.7 m -65.64 -41.11 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 329' ' ' MET . 61.2 tp -62.03 -44.94 95.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.77 97.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 36.3 t 55.5 -178.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 362' ' ' GLN . . . . . 0.418 ' HB3' HG23 ' A' ' 364' ' ' THR . 97.9 mt-30 -64.72 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 56.9 8.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 364' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 362' ' ' GLN . 59.7 p -65.29 -14.54 60.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.88 -38.09 84.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 52.63 42.34 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -158.04 -171.11 23.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.64 147.23 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 110.535 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.91 -42.93 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.362 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.2 129.3 41.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.546 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -68.75 125.62 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 47.61 31.43 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 49.72 35.75 9.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.655 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 51.28 37.76 19.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.796 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 47.14 -124.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.523 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.34 -39.77 94.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.458 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.3 mmm . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.688 ' HB3' ' CE2' ' A' ' 326' ' ' TYR . 1.0 OUTLIER -58.26 -45.02 88.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.372 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.88 92.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.68 98.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.42 -44.85 96.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.62 -45.76 92.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.406 HD12 ' HE1' ' B' ' 76' ' ' TYR . 90.2 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.441 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.12 -44.48 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.63 -40.86 96.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.327 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -62.83 -41.63 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.77 -42.66 94.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.415 ' CD2' HD22 ' A' ' 342' ' ' LEU . 86.7 t80 -60.77 -49.28 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.717 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' B' ' 42' ' ' GLU . 2.7 m-70 -67.79 -33.72 75.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.12 -37.9 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.469 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' B' ' 75' ' ' LEU . 88.3 mt -69.55 -38.53 77.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.23 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -87.82 -11.19 48.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.267 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.463 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 71.6 mm-40 -121.68 -67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -173.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 93.33 -152.58 20.96 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 174.33 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 p -99.34 -13.47 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 -18.16 42.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -81.05 142.89 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.07 -38.69 87.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.62 42.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -145.69 135.83 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.344 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.0 p -92.73 2.73 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -104.93 114.23 28.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.494 ' HG2' ' H ' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -59.95 -38.65 83.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.229 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -92.46 59.45 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 50.9 t -150.53 134.84 17.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.708 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.69 159.71 6.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p 76.31 -21.17 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.047 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' B' ' 55' ' ' ALA . 47.3 t -65.51 127.47 93.01 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -50.13 -36.12 44.6 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.448 2.099 . . . . 0.0 112.295 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.6 p -76.91 -17.38 58.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -91.37 132.03 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 174.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.94 145.95 33.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.26 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -61.22 143.87 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.309 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ptp -147.9 171.36 15.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' ND2' ' B' ' 66' ' ' ASN . 1.4 m-20 -80.68 169.3 17.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -35.39 78.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' B' ' 64' ' ' ASP . 1.5 p30 -64.39 -49.36 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.44 95.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.206 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.97 96.18 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.418 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.32 95.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.95 -47.25 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -64.06 -40.09 95.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.62 97.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.28 -44.66 94.43 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.33 -40.01 93.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.495 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' B' ' 40' ' ' LEU . 23.3 mt -60.36 -42.34 95.58 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 123.248 0.343 . . . . 0.0 110.658 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.492 ' OH ' HG21 ' A' ' 328' ' ' VAL . 88.4 t80 -61.1 -45.12 96.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.197 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -57.24 -46.22 83.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.756 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.39 -2.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 57.43 38.94 28.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.37 142.62 21.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -70.19 145.3 51.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.17 150.34 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' B' ' 83' ' ' CYS . 40.8 t -85.3 60.13 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.492 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -134.75 75.47 62.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.51 154.77 40.39 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.692 2.261 . . . . 0.0 112.2 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.485 ' N ' ' HD2' ' B' ' 87' ' ' PRO . 0.8 OUTLIER -54.4 -60.63 7.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.027 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 86' ' ' HIS . 23.9 Cg_endo . . . . . 0 N--CA 1.493 1.484 0 C-N-CA 122.729 2.286 . . . . 0.0 112.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.29 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.644 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.69 -44.62 95.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 40.2 pt -74.59 -19.8 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.992 0.425 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -91.03 -3.79 56.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.366 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 53.9 29.65 10.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 1.3 t 51.37 27.32 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 1.3 p 54.16 16.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -145.21 153.08 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.3 mtt -132.41 148.47 52.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.72 -40.47 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 13.6 t -150.58 151.1 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 85.0 p -82.93 -12.78 57.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -130.37 65.49 76.0 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.591 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.439 ' O ' ' OD2' ' A' ' 325' ' ' ASP . 43.8 Cg_endo -69.1 -33.61 18.68 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.311 2.008 . . . . 0.0 112.261 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.23 96.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.7 -39.77 88.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.582 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 88.7 tt0 -86.68 99.83 12.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.43 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -69.73 -21.94 63.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.626 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.52 -21.15 63.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.695 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 319' ' ' PRO . 49.5 p-10 -79.08 2.3 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.97 128.0 35.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -117.01 124.1 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 335' ' ' LEU . 92.6 t -66.49 -39.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.3 -35.04 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -71.38 2.49 4.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -128.48 76.83 78.03 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.43 -31.9 92.54 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.645 2.23 . . . . 0.0 111.92 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.4 -43.57 98.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -66.36 -42.96 87.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 328' ' ' VAL . 84.9 mt -62.54 -39.49 93.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.47 -43.04 99.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.266 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 91.0 p -63.4 -37.9 89.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.02 -45.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.92 -39.42 94.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.57 -39.84 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.567 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.02 -41.5 96.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.674 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.6 mt -45.28 107.64 0.67 Allowed Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.39 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.59 140.57 90.25 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.788 1.659 . . . . 0.0 112.095 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.79 2.64 90.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 66.4 t -125.43 129.6 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -125.77 148.51 62.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.811 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -19.94 54.42 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.446 2.097 . . . . 0.0 112.092 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.61 -12.97 60.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.703 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -65.43 141.24 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.006 0.432 . . . . 0.0 110.358 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -64.32 -37.73 88.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.49 97.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.575 HD13 HD11 ' B' ' 70' ' ' ILE . 39.5 mm -64.68 -44.95 96.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.934 0.397 . . . . 0.0 110.551 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.72 -39.84 95.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.588 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.2 mmt -64.7 -39.37 93.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.413 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.97 98.33 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.6 m -64.99 -40.24 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.61 -44.34 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.89 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.702 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 70.1 m -69.13 145.28 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.476 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.44 -41.62 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.82 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.455 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 77.5 p -81.5 -12.42 58.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -86.55 149.06 25.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.583 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.703 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -75.82 168.16 54.77 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -128.31 142.8 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -64.07 143.3 57.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 370' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 372' ' ' LYS . 59.4 p30 -142.35 -171.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.18 -39.52 90.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.436 ' O ' ' OD1' ' A' ' 370' ' ' ASP . 64.7 mttp -114.12 109.44 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 373' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 370' ' ' ASP . 75.2 mm-40 51.67 -131.93 2.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -126.36 141.4 51.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.389 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -78.14 106.05 9.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.95 -43.45 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.396 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.469 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -61.92 -39.99 93.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -62.56 -42.41 99.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.96 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.11 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.381 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.28 -44.4 95.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.685 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -60.79 -45.0 96.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.748 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.25 -48.09 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.82 -44.53 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.925 0.393 . . . . 0.0 110.143 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.99 -40.22 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.219 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -61.27 -42.02 97.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.77 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -66.22 -42.6 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.521 ' CZ ' HG21 ' B' ' 41' ' ' THR . 89.1 t80 -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.04 -45.69 91.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.488 ' OE1' HD23 ' B' ' 82' ' ' LEU . 63.1 tt0 -63.56 -38.92 92.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' B' ' 75' ' ' LEU . 82.5 mt -67.53 -39.92 85.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.893 0.378 . . . . 0.0 110.994 177.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.521 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 75.7 p -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -127.5 -80.98 0.6 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.801 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.653 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 135.8 -151.76 20.77 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -98.58 -12.77 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.816 0.341 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.81 49.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -72.38 142.28 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.13 -39.54 92.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.471 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.72 131.51 54.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.43 127.74 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -100.16 10.22 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' B' ' 84' ' ' ASP . 28.3 t-20 -97.31 119.22 35.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.382 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -60.46 -39.16 86.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.538 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -93.51 59.39 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -158.01 139.51 13.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.326 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -67.04 171.94 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.247 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 m 63.69 19.75 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.066 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 40.9 t -106.73 131.38 21.75 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -47.88 -36.49 26.94 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.951 1.767 . . . . 0.0 112.405 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.29 -19.09 54.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -87.81 130.98 34.69 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -99.38 132.56 44.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.192 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -57.67 140.51 51.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.9 162.02 30.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.839 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.09 171.91 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.914 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.38 -46.56 82.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.107 0.48 . . . . 0.0 110.289 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.23 90.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.318 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.49 89.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.91 95.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.588 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -66.18 -43.15 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -62.57 -39.96 95.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.789 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.15 98.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.244 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.26 -44.23 95.73 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -40.64 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' B' ' 40' ' ' LEU . 32.4 mt -64.38 -32.91 74.72 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.75 -41.89 91.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.04 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -42.52 84.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 pt -92.21 -6.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 52.88 39.15 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.096 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.2 142.73 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -73.34 145.23 46.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.487 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.612 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp -96.61 126.04 41.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 4.1 t 38.9 84.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.39 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ASP . . . . . 0.587 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 98.9 m-20 -66.25 148.93 98.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.68 151.94 74.56 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.314 2.009 . . . . 0.0 112.117 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -132.73 74.19 75.03 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.428 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--N 1.307 -1.651 0 C-N-CA 122.712 2.274 . . . . 0.0 112.226 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.44 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -88.73 105.73 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 86.4 mt -116.17 124.01 71.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.23 -179.46 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -60.96 141.84 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 47.9 t -146.83 144.52 29.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 45.0 t -149.37 143.61 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.01 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 79.6 mtm -126.93 144.6 50.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.65 148.16 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 96.9 m -119.19 128.78 54.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 46.9 t -152.05 147.74 26.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.665 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 51.05 57.86 17.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.491 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.38 151.09 71.19 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.829 2.353 . . . . 0.0 112.124 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 320' ' ' ALA . . . . . 0.775 ' HB1' ' OE1' ' A' ' 322' ' ' GLU . . . -63.78 137.97 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -64.25 -19.83 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.775 ' OE1' ' HB1' ' A' ' 320' ' ' ALA . 49.1 mp0 -68.96 143.73 54.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.0 -10.84 59.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.424 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.32 -20.71 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.468 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.742 ' OD2' ' HB3' ' A' ' 320' ' ' ALA . 98.6 m-20 -65.7 -15.78 63.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.544 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -56.14 127.97 33.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.479 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -115.99 126.55 53.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 335' ' ' LEU . 85.4 t -69.71 -39.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.684 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -60.47 -34.66 74.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.36 -0.38 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -125.69 69.27 63.28 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.28 -29.47 73.03 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.525 2.15 . . . . 0.0 112.123 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.73 -45.54 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.298 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.9 -43.84 91.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.309 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 328' ' ' VAL . 83.3 mt -61.72 -39.97 93.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.658 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 336' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 347' ' ' PRO . 63.6 tt0 -61.37 -42.29 98.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.409 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.5 t -61.14 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -44.74 99.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.151 0.5 . . . . 0.0 110.399 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.34 -41.65 97.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.281 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.44 -37.08 86.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.281 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.8 -38.84 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.279 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.1 mt -57.58 144.34 72.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.989 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.69 135.31 30.3 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.196 1.931 . . . . 0.0 112.379 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 76.45 7.26 85.16 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.3 t -113.44 124.66 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.368 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -135.95 149.2 67.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.972 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' PRO . . . . . 0.415 ' HB3' HE21 ' A' ' 336' ' ' GLN . 36.4 Cg_endo -65.53 -18.04 58.58 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.605 2.204 . . . . 0.0 112.083 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.68 -9.91 59.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -71.16 138.07 49.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.993 0.425 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.08 -37.23 85.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.89 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.57 -43.61 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.674 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -39.3 93.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.42 96.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.71 -39.22 93.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.33 97.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 97.1 p -68.79 -36.67 78.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.684 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.7 tp -58.55 -45.14 89.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -90.69 -7.56 52.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 29.8 m 49.88 45.36 25.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.517 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.91 -42.62 98.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.513 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -152.75 146.34 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 82.8 p -111.83 -8.14 14.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -82.62 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 172.42 -175.35 45.6 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 44.89 -119.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.323 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.59 144.3 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 370' ' ' ASP . . . . . 0.436 ' O ' ' OE1' ' A' ' 374' ' ' GLU . 67.4 t0 -87.51 109.12 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.664 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.46 -37.73 84.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.74 136.04 56.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 52.45 28.59 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.447 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 374' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 370' ' ' ASP . 51.8 tp10 -71.64 133.66 45.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.439 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.05 103.67 15.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -62.29 -39.66 93.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.424 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -63.27 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -60.02 -43.5 95.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.538 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.12 97.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.522 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.63 98.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -41.83 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.15 -43.79 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 31.3 m80 -61.54 -42.51 98.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.594 HD12 ' HE1' ' B' ' 76' ' ' TYR . 89.7 mt -62.35 -45.87 91.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.697 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.55 -43.98 98.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.371 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.93 -43.28 98.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.36 -42.07 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -63.95 -41.33 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.401 ' CD2' HD22 ' A' ' 342' ' ' LEU . 89.8 t80 -60.49 -48.46 81.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.575 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 41.1 m80 -62.62 -41.87 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -62.38 -37.35 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 111.628 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.55 -39.32 88.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.1 p -88.73 -10.19 49.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -123.5 -71.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.646 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 115.91 -141.42 16.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 105.6 -3.0 . . . . 0.0 105.6 172.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 p -99.59 -10.61 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.95 -17.59 56.26 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.67 144.19 55.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.38 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.2 -39.57 93.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.98 128.32 38.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -134.7 133.02 39.56 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -103.06 77.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -147.17 132.59 18.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.78 -39.53 94.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -105.69 64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -168.4 138.31 2.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.486 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.646 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -69.16 178.42 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.006 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m 63.12 15.99 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 96.6 m -103.14 148.12 35.17 Favored Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.33 -18.23 49.92 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.669 2.246 . . . . 0.0 112.254 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 p -101.81 0.3 35.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -104.96 126.94 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.72 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.39 131.49 51.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.036 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -47.6 139.72 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtt -127.79 154.33 45.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.157 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.25 173.85 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.102 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -61.41 -43.46 98.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.66 -45.86 81.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.531 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.52 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.243 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.02 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.38 89.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.78 -46.19 95.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -64.1 -39.79 94.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.32 96.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.965 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.01 -43.59 98.52 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.693 ' O ' HG22 ' B' ' 78' ' ' ILE . 96.5 mt-10 -63.74 -39.3 93.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.426 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.91 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.562 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.594 ' HE1' HD12 ' B' ' 32' ' ' LEU . 91.7 t80 -64.35 -47.2 80.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.162 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -59.91 -47.95 83.7 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 74' ' ' GLU . 16.2 tt -80.1 -9.35 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.25 38.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.49 143.75 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.73 144.29 50.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.559 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' B' ' 87' ' ' PRO . 6.3 mp -81.57 155.04 25.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.687 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.33 -47.77 84.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.34 148.61 98.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.98 155.03 66.21 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.604 2.203 . . . . 0.0 112.408 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.7 t60 48.97 64.59 8.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.653 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PRO . . . . . 0.528 ' HB3' HD13 ' B' ' 82' ' ' LEU . 59.6 Cg_exo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . 50.26 42.05 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.677 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -63.36 -13.49 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.521 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.59 -41.95 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.476 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -82.66 108.76 16.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -150.24 159.28 44.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 75.5 m -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.384 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 1.6 p 66.72 145.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -65.1 -13.74 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 61.3 tpp -59.4 -36.68 76.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -60.77 -11.27 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 98.6 m -60.62 -43.98 96.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.487 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 82.7 p -70.29 159.84 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 44.53 69.02 2.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 321' ' ' LYS . 36.4 Cg_exo -59.54 142.64 99.21 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.905 2.404 . . . . 0.0 112.132 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . 39.37 -97.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 323' ' ' GLU . 7.0 mmmt 55.76 -174.99 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.486 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 63.92 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' LYS . 23.6 pt-20 -66.84 -29.31 69.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.082 0.468 . . . . 0.0 110.672 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.06 -8.6 39.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.49 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 326' ' ' TYR . 66.4 t0 -62.31 -35.33 78.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 326' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 325' ' ' ASP . 33.4 t80 -38.06 130.81 1.15 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -109.39 125.92 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 335' ' ' LEU . 77.4 t -64.86 -39.93 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.528 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.1 mmt -60.53 -35.03 75.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.68 0.93 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.45 66.03 61.33 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.482 . . . . 0.0 110.107 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.32 -29.3 63.45 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.565 2.177 . . . . 0.0 112.222 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.28 -45.95 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.117 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -66.03 -42.44 89.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 328' ' ' VAL . 84.1 mt -61.11 -40.31 93.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.741 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.35 -42.28 98.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -62.63 -40.78 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -46.23 96.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.22 -41.66 98.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.67 -38.67 89.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.512 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.4 mt -57.26 141.77 76.77 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.168 1.912 . . . . 0.0 112.355 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.55 3.48 86.61 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.78 124.98 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.44 149.02 71.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.98 -17.93 51.67 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.626 2.217 . . . . 0.0 112.163 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.15 -9.45 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.628 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -66.07 137.2 56.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.124 0.488 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -65.58 -37.06 85.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.3 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -63.43 -44.85 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.698 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.27 -47.37 86.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.53 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.86 -42.7 99.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.7 mmt -64.34 -39.1 93.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.82 98.59 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.7 t -63.89 -43.24 96.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.954 0.407 . . . . 0.0 110.454 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -61.88 -43.44 98.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.262 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 360' ' ' ALA . . . . . 0.514 ' HB1' ' OD2' ' A' ' 366' ' ' ASP . . . -61.31 -40.98 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 75.2 m -61.91 -40.31 95.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -62.54 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.95 143.7 57.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 72.4 p -68.14 -33.85 75.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.59 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.07 140.08 47.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.514 ' OD2' ' HB1' ' A' ' 360' ' ' ALA . 54.7 t0 -122.5 -20.34 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 79.74 -168.3 52.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -125.16 141.77 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.12 0.486 . . . . 0.0 110.294 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.97 -32.37 73.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.28 -40.93 94.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.683 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -63.87 -40.51 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.651 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -63.87 -42.13 97.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -41.15 96.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.429 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 58.4 -120.18 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.22 10.32 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.63 147.27 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.592 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.685 179.762 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -63.61 -42.85 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.186 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -63.01 -40.42 97.71 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.98 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.6 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.65 91.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.375 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.45 -44.35 95.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -61.36 -41.03 96.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.547 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.5 mm? -63.39 -50.86 68.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.155 0.503 . . . . 0.0 110.558 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.49 -42.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.275 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.69 -40.58 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.81 -41.17 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.574 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' B' ' 82' ' ' LEU . 46.5 m-85 -66.89 -39.68 87.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 41' ' ' THR . 87.7 t80 -60.96 -48.31 82.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.187 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -62.54 -40.6 97.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.284 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.446 ' OE1' HD23 ' B' ' 82' ' ' LEU . 57.6 tt0 -62.53 -39.75 94.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 111.295 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' B' ' 75' ' ' LEU . 96.7 mt -72.73 -38.47 67.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.479 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 72.0 p -85.05 -4.39 59.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.109 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 1.4 tt0 -145.5 -64.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.217 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.3 -132.27 11.18 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 106.869 -2.493 . . . . 0.0 106.869 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -104.94 -14.19 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.14 -17.89 30.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.773 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -39.36 87.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.705 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.73 126.88 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -149.12 138.41 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 73.7 p -97.38 7.02 47.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -106.74 114.52 28.66 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.13 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.62 -39.39 88.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -93.29 59.39 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.22 135.47 17.97 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.976 0.417 . . . . 0.0 110.912 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -55.67 165.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p 67.17 -4.76 0.79 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.444 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' CYS . . . . . 0.402 ' H ' ' C ' ' B' ' 55' ' ' ALA . 48.5 t -86.15 128.31 58.22 Favored Pre-proline 0 CA--C 1.513 -0.461 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.7 -26.28 16.99 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.344 2.029 . . . . 0.0 112.447 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 79.5 p -88.32 9.77 22.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -135.75 131.62 35.78 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -170.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.32 149.51 29.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -53.02 141.88 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.2 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 77.3 mmm -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.819 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.54 171.13 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.845 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.4 -40.22 95.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -73.31 -44.5 58.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.471 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.19 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.14 90.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -64.23 -46.68 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.05 -38.8 92.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.13 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.01 -45.43 89.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.575 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.51 -37.59 85.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.803 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' B' ' 40' ' ' LEU . 19.7 mt -66.34 -39.44 89.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.15 -44.78 94.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.026 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -55.26 -48.26 74.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.6 -3.37 6.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.659 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.45 40.99 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 140.66 20.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.026 0.441 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.38 144.39 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.913 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' B' ' 36' ' ' TYR . 82.8 mt -82.93 154.49 24.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.784 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -60.01 -47.24 86.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.214 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -69.0 149.16 97.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.73 151.45 74.55 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.56 2.173 . . . . 0.0 112.248 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -134.22 75.74 64.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--N 1.306 -1.662 0 C-N-CA 122.809 2.34 . . . . 0.0 112.073 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 305' ' ' SER . . . . . 0.594 ' O ' ' HB3' ' A' ' 306' ' ' ALA . 18.1 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 306' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 308' ' ' ILE . . . 75.01 -61.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 55.2 t0 49.96 46.0 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 308' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 306' ' ' ALA . 44.2 pt -128.52 156.93 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.02 105.25 17.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -64.95 145.35 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 45.5 t -146.27 139.66 25.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.656 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 48.0 t -151.27 146.91 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.29 144.28 55.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.666 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 60.2 ttm -97.32 127.85 43.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 315' ' ' ASP . . . . . 0.419 ' OD1' ' OG ' ' A' ' 317' ' ' SER . 68.1 t0 -92.48 108.59 20.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 66.6 p -66.82 -28.61 68.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 317' ' ' SER . . . . . 0.419 ' OG ' ' OD1' ' A' ' 315' ' ' ASP . 82.7 p -71.3 161.3 31.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.378 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.45 74.14 75.95 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.39 141.53 89.35 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.661 2.241 . . . . 0.0 111.877 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -121.75 128.97 52.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 323' ' ' GLU . 63.6 mttp -60.8 -41.95 96.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.653 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 73.28 -36.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.425 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.534 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . 95.9 mt-10 -65.61 -28.13 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.475 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.02 -22.73 64.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.98 -14.74 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -53.78 128.42 29.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -120.6 122.67 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.01 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.3 mmt -60.72 -35.34 76.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -72.1 6.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -130.7 75.32 79.0 Favored Pre-proline 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.88 -34.36 96.85 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.794 2.33 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.33 -44.41 95.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.795 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.26 -45.69 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.85 -39.77 94.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.8 -42.4 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 46.9 t -60.66 -43.65 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.88 -45.34 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.64 -38.98 89.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -39.54 94.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.08 -41.52 96.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 7.5 mp -47.99 110.88 1.52 Allowed Pre-proline 0 N--CA 1.447 -0.612 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.3 137.64 71.59 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.275 1.983 . . . . 0.0 112.212 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.406 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 81.72 -0.22 88.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 345' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' B' ' 66' ' ' ASN . 58.2 t -121.93 125.95 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -130.56 148.69 71.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.88 -21.47 57.4 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.727 2.284 . . . . 0.0 112.21 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -71.65 -15.28 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.14 140.65 58.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -65.2 -30.49 71.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.15 99.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.328 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.593 HD13 HD11 ' B' ' 70' ' ' ILE . 43.2 mm -65.67 -44.32 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.88 -45.94 92.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.771 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.58 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.62 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.71 -43.09 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 35.9 mmt -64.08 -39.2 93.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.546 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.36 -43.76 98.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 94.8 p -67.51 -35.67 79.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.508 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.08 -45.02 91.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -91.44 -6.21 53.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 27.8 m 51.41 41.44 28.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -104.87 88.55 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.52 138.77 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.407 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 77.6 p -132.29 162.14 31.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -103.65 140.63 37.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.22 142.87 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 82.43 -62.5 4.57 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.348 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 40.66 -126.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -106.48 16.52 24.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.616 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -68.38 134.97 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 110.417 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 373' ' ' GLU . 17.5 mmmt -65.29 -40.0 93.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 373' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 372' ' ' LYS . 98.4 mt-10 54.01 169.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.489 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 53.88 40.71 31.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -87.5 2.99 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.28 144.77 53.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.415 -179.842 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 323' ' ' GLU . 54.3 mtmt -62.98 -38.62 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.53 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.2 -42.27 99.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.9 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.11 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.1 99.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.84 -41.94 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.11 -43.14 99.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.662 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.81 -45.38 94.08 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.51 -43.65 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.273 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -42.36 99.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.93 -43.33 99.07 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' B' ' 82' ' ' LEU . 34.2 m-85 -64.81 -44.38 90.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.5 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.568 ' CZ ' HG21 ' B' ' 41' ' ' THR . 85.0 t80 -63.16 -48.12 79.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.915 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -60.14 -47.53 85.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -35.71 79.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' B' ' 60' ' ' PHE . 61.2 tp -67.26 -45.57 76.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.77 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 73.0 p -72.69 -28.04 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -103.14 -78.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.629 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 136.81 -155.26 22.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 108.25 -1.94 . . . . 0.0 108.25 175.329 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 p -98.25 -12.75 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.08 -18.6 39.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -72.19 142.03 49.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.579 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.74 -39.12 93.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.7 134.89 53.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.3 t -138.11 127.66 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 79.0 p -103.94 10.1 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -95.2 115.53 27.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.23 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.73 59.91 2.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.571 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.08 141.65 16.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.629 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -72.63 172.46 10.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.268 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.49 17.77 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.6 t -105.28 131.98 21.28 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -46.77 -36.65 19.89 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.452 2.101 . . . . 0.0 112.371 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.5 p -79.6 -19.94 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.794 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' B' ' 40' ' ' LEU . 66.3 t80 -88.11 131.3 34.75 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 116.536 2.051 . . . . 0.0 116.536 172.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.99 146.28 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -60.75 140.17 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.86 164.58 24.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.746 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.92 166.57 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.599 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASN . . . . . 0.406 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.2 m-20 -63.63 -40.67 97.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 345' ' ' VAL . 0.1 OUTLIER -67.48 -46.86 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 110.288 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.57 97.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.144 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.38 90.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.205 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.79 91.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.4 mm -62.71 -45.04 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -62.74 -39.54 94.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.68 -40.61 95.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.002 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.43 -43.66 98.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.7 mt-10 -64.32 -39.02 93.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 72' ' ' ALA . 46.3 mt -60.5 -40.22 90.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.186 0.517 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.44 -46.11 87.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.284 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -58.68 -46.65 86.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.556 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.575 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.4 tt -81.32 -11.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 59.3 t30 56.62 37.86 29.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.255 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.46 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.46 140.28 34.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.04 140.02 54.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' B' ' 36' ' ' TYR . 35.6 mt -78.95 151.21 31.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.871 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.39 -48.26 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -129.94 77.97 75.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.64 150.48 40.11 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.741 2.294 . . . . 0.0 112.064 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 71.2 m80 46.63 60.64 14.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.63 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 C--N 1.307 -1.626 0 C-N-CA 122.787 2.325 . . . . 0.0 112.193 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.96 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.6 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 308' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 308' ' ' ILE . 10.7 tp -67.12 -29.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 309' ' ' ASP . . . . . 0.52 ' O ' ' HB3' ' A' ' 310' ' ' ALA . 66.5 t0 -65.99 125.09 24.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.66 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 310' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 309' ' ' ASP . . . 69.48 24.19 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 120.99 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 89.9 p -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . 63.48 12.51 6.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.457 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.4 mtt -86.17 -10.64 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.21 37.94 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 97.6 m -64.04 -42.51 97.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.742 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 68.9 m -88.12 -2.23 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -135.92 59.43 28.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.069 0.461 . . . . 0.0 110.542 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 -17.38 59.62 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.867 2.378 . . . . 0.0 112.145 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.23 71.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -61.1 -38.18 85.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.8 132.63 54.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.407 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -66.74 -38.22 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.43 -21.94 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.23 -38.0 89.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 326' ' ' TYR . . . . . 0.525 ' CD1' ' NH2' ' B' ' 26' ' ' ARG . 92.3 t80 -54.4 128.83 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -126.48 119.39 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.614 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' B' ' 29' ' ' ALA . 82.3 t -61.67 -41.3 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.457 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.61 -24.77 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -88.77 11.73 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 331' ' ' ASP . . . . . 0.506 ' OD2' ' CE1' ' A' ' 326' ' ' TYR . 53.3 m-20 -129.08 76.46 79.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.32 -37.11 97.47 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.79 2.327 . . . . 0.0 111.979 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -41.69 98.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.54 -44.84 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.86 -40.03 96.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.96 -41.38 97.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -61.2 -39.29 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 338' ' ' VAL . . . . . 0.558 HG11 HG21 ' B' ' 33' ' ' ILE . 59.2 t -62.04 -44.1 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 0.0 110.539 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.52 -40.46 94.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.333 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.77 88.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -59.99 -39.79 86.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.13 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.3 mt -61.15 138.6 94.42 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.21 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.57 137.28 30.05 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.059 1.84 . . . . 0.0 112.773 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.22 2.13 86.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.74 124.11 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.84 0.352 . . . . 0.0 110.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -145.24 153.92 53.16 Favored Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.763 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.17 -22.14 63.09 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.816 2.344 . . . . 0.0 112.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.22 -19.04 63.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.545 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.27 127.39 32.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.337 179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.1 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.38 -45.1 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -60.75 -45.95 92.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.62 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.56 -40.57 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.8 mmt -65.14 -39.3 92.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.97 96.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 358' ' ' SER . . . . . 0.442 ' HB2' ' HZ2' ' A' ' 368' ' ' LYS . 47.7 t -64.58 -43.32 94.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.892 0.377 . . . . 0.0 110.406 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.88 88.79 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.475 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 361' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 358' ' ' SER . 58.5 m 41.9 28.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.4 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.07 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.15 98.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.749 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 30.6 m -144.69 107.24 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -60.46 -29.74 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.934 0.397 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.52 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 145.62 174.03 17.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 368' ' ' LYS . . . . . 0.442 ' HZ2' ' HB2' ' A' ' 358' ' ' SER . 23.0 mmtp -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.719 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -143.57 9.32 1.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.618 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.82 79.24 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.25 -39.26 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -154.66 162.74 41.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.681 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -149.33 161.44 42.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -120.3 142.85 48.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.97 5.58 48.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.633 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.5 145.61 45.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.457 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -62.66 -37.31 85.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.544 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ARG . . . . . 0.525 ' NH2' ' CD1' ' A' ' 326' ' ' TYR . 83.3 mtt85 -59.28 -46.81 87.54 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.212 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.46 95.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.375 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.453 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -59.62 -44.94 93.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.05 -43.15 93.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -63.91 -42.12 97.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.41 -45.32 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.544 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.558 HG21 HG11 ' A' ' 338' ' ' VAL . 84.6 mt -62.12 -44.79 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.35 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.13 -43.67 98.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' B' ' 39' ' ' GLN . 99.1 mtt180 -62.72 -41.92 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.52 -43.01 98.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.692 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.5 ' CZ ' HG21 ' B' ' 41' ' ' THR . 65.2 t80 -62.37 -49.79 74.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.762 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -65.18 -38.73 91.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.163 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 28.0 tp60 -63.17 -40.08 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 5.4 mp -72.23 -43.12 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 68.5 p -71.85 -29.62 64.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -101.04 -81.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.54 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 129.51 -164.44 22.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 5.1 p -99.48 -9.58 23.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -18.32 57.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.69 139.17 57.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.349 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -63.42 -39.77 95.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.58 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.94 84.19 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.71 137.45 58.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -97.72 7.57 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -103.88 123.59 47.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.182 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.6 -39.67 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -91.52 59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -163.45 144.99 9.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.528 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.54 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -67.02 176.12 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m 64.55 16.83 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.04 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.13 130.13 24.91 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.0 -37.01 21.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.413 2.076 . . . . 0.0 112.417 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.08 -13.56 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.682 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.96 121.8 42.4 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.577 3.151 . . . . 0.0 109.592 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -109.14 140.4 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.375 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.62 136.47 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -129.03 163.74 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.956 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 167.94 15.63 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -45.63 93.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.731 176.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -48.16 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.689 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.9 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.13 77.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.99 94.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.0 mm -61.62 -46.35 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.277 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.12 -39.38 92.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.016 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.63 97.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.142 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.54 -44.01 95.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.51 -40.49 97.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.77 -40.16 91.48 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.236 0.335 . . . . 0.0 110.117 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.12 -41.84 97.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -57.71 -44.21 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.446 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.13 -2.33 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.705 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 52.23 40.53 29.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.336 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.2 138.69 31.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.64 144.28 51.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.27 154.75 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.67 -43.93 93.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.19 148.33 93.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.645 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.68 162.34 42.42 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.698 2.265 . . . . 0.0 112.539 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 52.8 58.54 14.46 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.487 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 C--N 1.306 -1.676 0 C-N-CA 122.83 2.353 . . . . 0.0 112.264 -179.833 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 306' ' ' ALA . . . . . 0.475 ' HB3' HG22 ' A' ' 308' ' ' ILE . . . 49.91 19.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 307' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 307' ' ' ASP . 48.1 t0 49.05 40.09 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 308' ' ' ILE . . . . . 0.475 HG22 ' HB3' ' A' ' 306' ' ' ALA . 21.0 tt -143.04 138.88 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -91.03 102.21 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -152.99 153.97 34.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 98.9 p -151.9 160.27 43.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 38.6 t -68.49 139.51 55.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.11 137.34 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 65.7 mtt 44.92 29.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 315' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' A' ' 316' ' ' THR . 67.9 t0 42.5 -121.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.374 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.498 ' H ' ' CG ' ' A' ' 315' ' ' ASP . 94.9 m -121.37 128.7 52.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 97.5 p -154.76 162.57 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 49.89 68.2 3.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.77 141.51 84.66 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.704 2.27 . . . . 0.0 111.961 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -151.53 154.02 35.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -106.24 170.12 8.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 24.1 pt-20 -153.54 154.38 34.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.748 0.308 . . . . 0.0 110.358 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.479 ' C ' ' HZ1' ' B' ' 25' ' ' LYS . 99.4 mt-10 -69.33 -18.57 63.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.917 0.389 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.81 -25.69 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 325' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 322' ' ' GLU . 55.4 p30 -80.49 -1.79 43.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.727 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -64.32 131.36 47.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -123.96 117.1 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.613 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.99 -35.52 65.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.6 mmt -58.47 -34.36 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.08 1.91 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -129.79 74.43 80.68 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.683 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.39 -33.66 96.62 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.753 2.302 . . . . 0.0 112.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.19 -45.76 92.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.076 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.83 -45.2 93.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.64 -40.08 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -41.77 98.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.32 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 72.8 m -62.36 -41.45 98.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 339' ' ' LEU . . . . . 0.418 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.6 mt -62.18 -41.79 98.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -38.63 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.479 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.84 -36.99 77.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.387 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 342' ' ' LEU . 93.2 mt -59.98 140.89 90.24 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.912 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.49 137.5 36.38 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.894 1.729 . . . . 0.0 112.242 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 344' ' ' GLY . . . . . 0.404 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.55 1.18 86.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.88 125.83 69.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.687 0.279 . . . . 0.0 110.53 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -134.44 149.26 70.61 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.05 -22.39 62.23 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.357 2.038 . . . . 0.0 112.111 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.97 -14.82 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.06 135.89 56.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.098 0.475 . . . . 0.0 110.237 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -64.41 -37.25 86.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.46 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.28 -44.33 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.19 -47.28 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.13 -40.26 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.81 -42.85 99.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -39.78 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.665 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.73 96.39 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.5 m -65.68 -41.92 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -63.9 -44.15 93.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.221 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.97 93.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 41.3 t -62.06 138.75 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -100.57 5.64 44.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.698 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.59 143.1 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 81.3 p -130.21 166.92 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.1 -20.59 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 366' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 366' ' ' ASP . 67.3 t0 -59.8 -34.68 73.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.392 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 367' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 368' ' ' LYS . . . -59.16 -17.17 36.69 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 368' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 367' ' ' GLY . 63.8 pttt -40.21 163.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 56.61 27.02 11.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 48.68 36.14 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 50.66 36.87 15.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -79.03 137.13 37.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.844 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -84.79 147.99 26.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -39.66 94.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.16 107.0 18.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.26 -40.02 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.654 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' HZ1' ' C ' ' A' ' 323' ' ' GLU . 1.7 mmmm -62.53 -40.23 96.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -62.95 -41.18 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.39 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.71 95.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.42 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -63.22 -42.68 99.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -46.37 89.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.46 -43.76 98.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.77 -44.95 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.243 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.31 -43.53 98.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.414 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.995 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.23 -40.28 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.644 ' O ' HG23 ' B' ' 41' ' ' THR . 93.5 t80 -62.52 -49.62 74.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -64.54 -41.94 96.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -65.06 -42.25 94.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.456 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 54.0 tp -68.82 -42.66 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.644 HG23 ' O ' ' B' ' 37' ' ' TYR . 68.3 p -71.26 -29.32 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -105.43 -76.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.664 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 137.47 -153.96 22.26 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 176.091 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -98.71 -12.63 20.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.682 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.82 -18.12 49.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -71.64 138.93 49.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.622 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.25 -39.75 95.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.552 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.9 126.19 53.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -141.97 129.37 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -113.2 68.68 0.68 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -147.29 125.66 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -62.75 -38.81 92.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.52 60.24 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.636 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 t -162.8 136.97 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.664 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -73.94 173.19 10.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.4 m 63.7 18.61 11.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.988 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 90.0 m -100.91 150.48 37.08 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.191 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.93 -32.43 47.48 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.144 1.896 . . . . 0.0 112.477 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.4 p -92.97 12.67 23.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.058 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -113.14 125.93 54.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 -172.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -113.44 138.5 50.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -53.34 128.13 27.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.64 167.93 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.641 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.99 169.4 18.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASN . . . . . 0.404 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -63.88 -41.03 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.732 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -45.0 72.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.035 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.65 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.034 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.144 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.97 -41.56 92.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.524 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -65.59 -44.35 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.52 -40.9 98.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.324 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.28 -43.49 97.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.22 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.03 -39.55 95.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.22 -36.67 84.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.243 0.544 . . . . 0.0 110.176 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.4 -49.08 79.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.636 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -69.07 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.692 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 tt -81.21 -9.46 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.45 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 55.17 39.01 31.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.293 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.71 140.14 36.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -71.03 143.06 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.761 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.95 155.34 27.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.81 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.6 t -120.27 78.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -133.76 77.48 63.45 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.289 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -57.93 145.86 89.31 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 123.041 2.494 . . . . 0.0 111.83 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -67.85 148.23 98.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.031 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--N 1.316 -1.165 0 C-N-CA 122.43 2.086 . . . . 0.0 112.195 179.545 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -148.93 153.47 38.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -88.43 105.62 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 41.4 pt -130.32 156.82 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -88.01 105.29 17.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.53 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -63.72 142.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 41.0 t -62.56 140.28 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 81.1 p -71.23 161.16 31.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.01 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 314' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 315' ' ' ASP . 16.5 tmm? -115.01 119.43 36.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 315' ' ' ASP . . . . . 0.492 ' O ' ' SD ' ' A' ' 314' ' ' MET . 98.7 m-20 -66.21 139.86 58.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 316' ' ' THR . . . . . 0.438 ' O ' ' OE2' ' A' ' 318' ' ' GLU . 94.5 m -63.03 -43.97 97.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.654 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 46.9 t -68.23 147.0 52.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 318' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 318' ' ' GLU . 44.2 mp0 -128.3 68.98 77.86 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.26 -15.81 28.32 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.828 2.352 . . . . 0.0 112.245 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -60.29 139.62 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 321' ' ' LYS . . . . . 0.529 ' NZ ' ' O ' ' B' ' 77' ' ' LYS . 71.3 mmtt -103.1 3.51 36.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.484 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 59.61 41.98 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -127.13 126.42 42.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -91.55 -58.98 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -139.96 57.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -160.34 131.8 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.414 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -117.77 109.71 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.42 -41.82 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.2 mmt -60.63 -35.96 77.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.36 5.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.047 0.451 . . . . 0.0 110.356 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -129.01 75.82 79.95 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.55 -36.57 97.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.764 2.31 . . . . 0.0 111.893 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -62.14 -41.4 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.27 -48.1 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.61 -40.12 96.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 12.3 tp-100 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.0 m -61.23 -42.46 98.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.673 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.46 -45.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.415 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 339' ' ' LEU . . . . . 0.657 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.2 mt -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.75 -38.03 89.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.546 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -59.2 -37.97 78.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.991 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.8 mt -58.47 142.96 81.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.012 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.5 135.52 31.28 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.129 1.886 . . . . 0.0 112.575 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.64 2.46 85.34 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.0 124.96 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.358 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -134.4 148.5 67.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.48 -19.92 48.36 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.489 2.126 . . . . 0.0 112.257 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.09 -4.66 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.74 138.79 50.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.38 -38.94 91.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.44 92.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.839 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -66.21 -42.61 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.629 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.29 -47.23 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.786 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.99 -39.72 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.533 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.22 98.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -39.46 94.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.09 -43.36 98.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 92.3 p -64.86 -38.49 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.63 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.86 -44.55 92.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.423 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.11 93.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 89.7 p -63.12 -39.27 94.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.92 -41.28 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.582 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.05 97.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.551 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 69.2 p -81.71 158.65 24.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.27 -40.76 98.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -149.19 98.71 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -62.16 -40.22 98.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -70.34 146.07 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -127.19 148.89 50.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.67 140.2 57.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -62.37 -39.59 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 88.0 tttt 62.35 -83.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -73.58 130.23 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.28 146.24 41.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -89.43 6.24 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.71 144.19 49.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.647 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.8 mmm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.12 -41.44 98.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.18 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.59 -42.09 99.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.79 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.64 99.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -44.33 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -61.44 -42.92 99.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.53 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.6 mt -62.46 -44.93 95.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.797 0.332 . . . . 0.0 110.115 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.69 -45.43 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.603 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.51 -44.72 93.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.07 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.626 ' CD2' HD21 ' B' ' 82' ' ' LEU . 30.2 m-85 -64.81 -43.63 92.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.698 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' TYR . . . . . 0.406 ' O ' HG23 ' B' ' 41' ' ' THR . 91.3 t80 -62.61 -49.63 74.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.642 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -66.89 -35.27 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.368 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.15 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.899 0.381 . . . . 0.0 111.443 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' B' ' 75' ' ' LEU . 97.2 mt -72.2 -39.13 68.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.091 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 37' ' ' TYR . 59.6 p -82.12 -16.06 51.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . 0.466 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 98.7 mt-10 -115.48 -63.81 1.4 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -174.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.679 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 103.86 -165.88 15.52 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 106.516 -2.634 . . . . 0.0 106.516 174.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.14 -13.28 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.61 -18.24 44.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.09 138.44 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -39.79 95.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.28 125.56 45.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.1 t -150.53 131.24 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.605 ' O ' HG23 ' B' ' 50' ' ' THR . 8.6 t -86.0 66.37 9.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.648 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' B' ' 83' ' ' CYS . 17.4 t-20 -141.57 113.84 8.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' OG1' ' B' ' 59' ' ' THR . 0.8 OUTLIER -70.47 -12.95 61.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.48 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.68 59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.33 139.62 9.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.146 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -78.55 165.83 23.27 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.439 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.77 14.24 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.357 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 p -127.14 147.11 60.43 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.9 -21.29 44.11 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.623 2.216 . . . . 0.0 112.363 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.473 ' H ' HG23 ' B' ' 59' ' ' THR . 1.4 p -71.04 -21.94 62.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.721 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -133.46 132.66 41.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.479 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.68 148.75 24.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -56.32 136.49 53.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.212 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.3 tpp -125.35 172.0 9.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 166.98 22.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.049 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.96 -41.33 99.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.356 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.32 -47.42 82.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.87 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.319 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -62.15 -38.96 91.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.311 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ALA . . . . . 0.657 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.95 -42.11 93.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.533 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.5 mm -63.76 -45.14 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.243 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.18 -39.9 94.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.381 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.16 96.25 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.67 -45.25 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.538 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.4 mt-10 -67.25 -39.97 86.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.724 ' CD1' HD11 ' B' ' 40' ' ' LEU . 27.8 mt -62.5 -40.47 96.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.072 0.463 . . . . 0.0 110.174 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.53 ' HE1' HD12 ' B' ' 32' ' ' LEU . 84.3 t80 -62.15 -46.25 89.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.208 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.529 ' O ' ' NZ ' ' A' ' 321' ' ' LYS . 2.3 ttpm? -57.81 -48.36 79.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.538 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.7 tt -80.74 -11.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.614 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.8 37.65 28.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.49 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -57.15 141.34 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.69 146.76 39.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.624 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp -98.0 123.97 42.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' CYS . . . . . 0.67 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 79.7 m 41.01 53.68 3.32 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.261 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -114.77 133.68 22.54 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 123.283 0.364 . . . . 0.0 110.865 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.52 149.11 61.52 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.318 2.012 . . . . 0.0 112.077 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -135.63 149.15 68.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.763 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo . . . . . 0 N--CA 1.495 1.577 0 C-N-CA 122.563 2.176 . . . . 0.0 112.093 179.369 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.84 95.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 40.9 t0 51.77 46.21 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.26 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.47 -40.14 93.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.642 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 51.01 40.4 25.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.622 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 82.5 p -71.01 162.8 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 71.2 m -63.46 143.56 57.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.649 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.91 142.05 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.537 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 59.4 ttm -61.75 -43.13 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.408 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -82.13 -179.34 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 70.5 p -76.1 166.35 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 82.6 p -70.11 161.44 30.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.504 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -132.88 65.61 74.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 152.44 48.49 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.256 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -65.33 137.49 57.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.496 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.11 -39.48 94.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 322' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 323' ' ' GLU . 80.9 mm-40 -61.81 153.22 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 323' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 322' ' ' GLU . 62.6 mm-40 82.93 -55.69 0.17 Allowed 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 123.802 0.689 . . . . 0.0 110.884 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.42 -35.86 74.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -65.36 -8.11 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.789 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -58.62 129.11 40.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.407 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -103.42 111.17 23.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 328' ' ' VAL . . . . . 0.643 HG21 ' OH ' ' B' ' 76' ' ' TYR . 80.6 t -68.3 -38.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 329' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.0 mmt -64.62 -11.36 34.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.658 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -68.47 -35.42 77.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -116.23 72.48 4.85 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.11 -19.97 68.22 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 122.428 2.085 . . . . 0.0 112.408 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.87 -39.66 92.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.18 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -63.48 -44.87 93.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.46 . . . . 0.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 335' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 328' ' ' VAL . 87.5 mt -62.05 -39.1 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.5 -42.41 96.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.201 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.0 t -61.78 -43.2 99.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.525 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.06 -43.31 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.105 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.74 -39.51 91.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.82 -40.42 97.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.259 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -59.93 -41.47 91.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 342' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.8 mt -42.41 106.33 0.46 Allowed Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.173 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.66 139.42 76.54 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.025 1.817 . . . . 0.0 112.345 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.82 0.69 89.71 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 67.8 t -127.62 131.08 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -129.83 150.42 75.82 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.71 -17.49 59.23 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.457 2.104 . . . . 0.0 112.161 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.18 -12.16 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -64.68 136.24 56.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.578 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.87 -38.75 92.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.272 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.65 95.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 352' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.15 -44.72 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.729 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.32 -46.28 90.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.614 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -62.82 -41.39 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 355' ' ' ALA . . . . . 0.495 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.23 -41.72 97.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.5 mmt -63.78 -39.33 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.438 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 -43.74 98.65 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.8 p -66.54 -38.23 86.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 359' ' ' LEU . . . . . 0.407 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.1 tp -62.72 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.111 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.24 95.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.768 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 90.1 p -63.71 -38.86 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.1 -39.21 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 98.7 m -102.96 122.78 45.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -67.19 134.95 52.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -68.27 131.01 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 87.27 4.42 81.0 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.48 -43.55 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -99.72 151.84 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.93 142.52 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.79 -42.73 98.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -74.41 143.35 44.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -89.93 146.85 24.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.42 42.62 31.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 375' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 377' ' ' LYS . 56.0 p-10 -58.07 148.74 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.895 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 376' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 375' ' ' ASP . 22.9 pttp 32.05 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.431 0.457 . . . . 0.0 111.071 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 377' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 375' ' ' ASP . 88.4 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.934 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.18 -40.13 95.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.23 -39.87 94.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.34 93.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.423 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.19 93.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.34 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.22 96.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.451 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.662 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -60.91 -43.08 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.849 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.8 mt -61.24 -51.26 69.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.7 -44.82 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.233 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.44 -45.21 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.26 -41.3 97.0 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.866 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' TYR . . . . . 0.55 ' CD2' HD21 ' B' ' 82' ' ' LEU . 25.8 m-85 -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.49 -49.75 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -68.62 -33.92 74.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.257 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -65.78 -37.23 85.74 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.482 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.414 HD11 HD12 ' B' ' 75' ' ' LEU . 82.4 mt -68.23 -39.78 82.21 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.384 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 57.5 p -87.1 -11.78 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.458 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -112.64 -58.78 2.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 98.38 -164.67 21.25 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 103.633 -3.787 . . . . 0.0 103.633 170.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.67 -13.21 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.824 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -17.56 40.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -72.15 129.37 38.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.478 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.77 -39.99 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.535 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.42 106.75 17.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 t -137.16 125.6 23.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' THR . . . . . 0.63 ' O ' HG23 ' B' ' 50' ' ' THR . 7.0 t -113.47 74.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.6 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -147.04 126.69 13.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.98 -39.3 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -93.98 61.46 2.99 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 31.0 t -162.98 141.1 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -85.13 167.68 15.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.468 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.58 -3.88 2.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.15 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 85.6 m -74.4 149.71 86.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.079 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.94 -37.03 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.125 1.883 . . . . 0.0 112.506 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -84.01 -10.36 57.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.919 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -96.61 127.92 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.684 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.9 145.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.3 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.81 147.01 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.87 168.06 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.764 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.02 161.47 26.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.34 -34.48 73.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.609 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -70.17 -46.43 64.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.245 0.545 . . . . 0.0 110.211 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.11 95.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.036 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.12 90.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.95 91.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ILE . . . . . 0.495 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.4 mm -63.59 -45.51 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.398 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.071 0.463 . . . . 0.0 109.92 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.7 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.354 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.77 -44.21 96.78 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.353 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' GLU . . . . . 0.719 ' O ' HG22 ' B' ' 78' ' ' ILE . 98.5 mt-10 -63.01 -39.42 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.414 HD12 HD11 ' B' ' 40' ' ' LEU . 46.2 mt -61.65 -41.15 97.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.17 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' TYR . . . . . 0.643 ' OH ' HG21 ' A' ' 328' ' ' VAL . 87.8 t80 -62.62 -47.33 84.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.59 -49.69 75.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ILE . . . . . 0.719 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.5 tt -80.61 -7.33 10.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.686 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 t30 47.08 40.06 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.463 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -62.25 142.12 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.345 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -74.13 145.75 44.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.531 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LEU . . . . . 0.621 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp -97.04 135.49 38.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.82 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 t 41.72 67.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -132.19 78.44 68.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.405 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.46 145.38 88.63 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.925 2.417 . . . . 0.0 112.072 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 86' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' B' ' 86' ' ' HIS . 65.1 t-80 52.77 59.93 13.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 C--N 1.308 -1.591 0 C-N-CA 122.71 2.273 . . . . 0.0 112.229 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 . . . . . 0 C--O 1.228 -0.039 0 CA-C-O 120.884 0.374 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.487 ' CG1' HD21 ' A' ' 335' ' ' LEU . 73.6 t -66.95 -38.49 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.9 mmt -58.89 -20.36 50.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -82.13 1.73 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -130.6 75.08 79.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.062 0.458 . . . . 0.0 110.645 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.5 -33.34 96.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.823 2.348 . . . . 0.0 111.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.34 -45.07 94.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 338' ' ' VAL . 69.1 t80 -65.28 -42.92 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.423 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.9 mt -62.37 -40.49 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -62.11 -42.28 99.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 96.9 p -64.53 -36.34 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 334' ' ' PHE . 60.6 t -61.96 -47.77 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 339' ' ' LEU . 95.2 mt -62.76 -41.24 99.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.26 -38.16 89.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.15 -37.54 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.365 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.86 141.86 85.09 Favored Pre-proline 0 C--O 1.239 0.514 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.777 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.54 137.27 32.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.403 2.069 . . . . 0.0 112.194 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.95 1.41 84.85 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.8 t -108.57 125.76 65.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.515 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . 0.433 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 91.7 m-20 -132.3 148.33 69.29 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.37 -17.81 54.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.858 2.372 . . . . 0.0 112.27 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -83.8 -5.67 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' A' ' 352' ' ' ILE . 92.5 m-20 -71.56 136.11 47.32 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.73 -38.76 92.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.78 96.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' A' ' 349' ' ' ASN . 1.8 mp -63.44 -45.25 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -64.65 -40.58 95.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.63 -41.78 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -39.59 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.99 94.59 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 45.8 t -65.46 -46.2 80.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.738 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.443 ' CD1' ' HZ1' ' B' ' 77' ' ' LYS . 59.5 tp -62.22 -43.12 99.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.8 0.333 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.72 -42.35 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.3 97.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.28 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.76 98.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -64.18 -42.48 96.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.49 -47.43 85.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.17 -43.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.423 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.12 -42.87 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -62.58 -42.46 99.57 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.448 ' CE2' ' HG ' ' B' ' 82' ' ' LEU . 28.6 m-85 -65.36 -41.91 93.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 90.6 t80 -61.53 -49.08 78.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -67.14 -35.11 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -63.24 -39.74 95.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 6.7 mp -72.14 -36.98 69.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.943 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 62.8 p -87.02 -9.42 55.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.029 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.5 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 72.9 mm-40 -124.31 -66.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.663 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 95.38 -151.96 20.21 Favored Glycine 0 N--CA 1.466 0.692 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 173.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -100.02 -11.74 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 -17.6 39.64 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -83.25 141.26 31.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.83 -39.1 90.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.27 131.45 42.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.77 136.77 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.0 p -95.36 6.79 48.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -105.69 116.5 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.11 -39.73 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -94.17 60.21 2.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.676 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -150.87 132.15 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.499 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.663 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.16 160.28 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p 75.81 -20.56 0.35 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' B' ' 55' ' ' ALA . 49.1 t -66.75 123.91 87.15 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 -33.72 27.03 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.645 2.23 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 58.9 p -79.63 -18.95 50.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -92.95 137.53 32.28 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -110.49 146.26 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -56.05 139.74 45.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.405 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 51.4 mmm -125.98 158.45 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.69 174.34 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.194 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.87 -40.27 97.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -74.32 -43.06 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.583 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.05 99.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.429 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -66.58 -38.52 87.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.05 91.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.28 -44.96 94.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.13 -40.36 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.042 0.449 . . . . 0.0 110.073 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.47 99.46 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.399 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -44.18 96.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.16 -40.99 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.454 HD23 HD11 ' B' ' 78' ' ' ILE . 24.1 mt -61.1 -38.42 86.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -59.9 -44.51 94.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.538 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.443 ' HZ1' ' CD1' ' A' ' 359' ' ' LEU . 57.6 mtpt -59.3 -42.33 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.454 HD11 HD23 ' B' ' 75' ' ' LEU . 36.3 pt -86.62 -3.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 32.8 m120 52.29 40.41 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.56 24.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.67 145.24 45.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.726 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.466 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.644 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.228 -0.075 0 CA-C-O 120.821 0.343 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.0 -32.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.126 0.489 . . . . 0.0 110.6 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -59.63 -20.7 57.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.576 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.33 -0.62 23.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.645 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -130.37 74.81 79.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.747 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 -35.42 92.12 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.738 2.292 . . . . 0.0 112.097 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.44 -41.91 97.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.977 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -64.98 -44.06 90.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.18 -39.75 93.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.477 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.62 -41.55 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.4 m -61.58 -40.07 93.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . 0.541 HG11 HG21 ' B' ' 33' ' ' ILE . 65.1 t -61.3 -46.05 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.459 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.7 -40.46 97.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.03 -39.6 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.449 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' B' ' 37' ' ' TYR . 98.6 mt -58.6 139.11 85.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.15 0.5 . . . . 0.0 110.505 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.31 136.78 32.37 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.513 2.142 . . . . 0.0 112.302 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.18 0.81 84.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' B' ' 69' ' ' ALA . 64.2 t -120.34 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.504 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 349' ' ' ASN . 26.0 m-20 -139.16 152.04 68.9 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.62 -28.93 13.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 114.372 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.75 -24.09 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 346' ' ' ASP . 2.4 m120 -52.56 124.17 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 173.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.81 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.95 91.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.79 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -66.61 -41.83 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.74 -42.13 98.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.46 -40.16 92.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.445 ' HB2' HD12 ' B' ' 70' ' ' ILE . . . -63.08 -43.25 99.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.781 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.71 -38.82 92.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -61.42 -45.79 95.69 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.13 -41.63 90.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.789 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.4 tp -63.25 -42.63 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.604 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 -179.688 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.824 0.345 . . . . 0.0 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.75 -42.74 93.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.29 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.7 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.372 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.36 -45.26 95.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.3 m170 -61.47 -41.65 97.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.2 mm? -61.37 -51.23 69.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.541 HG21 HG11 ' A' ' 338' ' ' VAL . 91.8 mt -60.0 -43.99 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -61.28 -39.62 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.07 -41.57 99.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' B' ' 75' ' ' LEU . 48.0 m-85 -66.13 -42.15 89.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 342' ' ' LEU . 93.4 t80 -60.07 -49.29 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -65.81 -40.96 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -62.29 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.413 HD11 HD22 ' B' ' 75' ' ' LEU . 82.4 mt -66.03 -38.9 89.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.022 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -82.79 -8.72 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -116.68 -99.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 144.51 -163.91 27.8 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.82 -13.63 19.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -18.04 40.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.73 136.11 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.51 127.67 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.8 t -145.05 131.3 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.507 ' O ' HG23 ' B' ' 50' ' ' THR . 6.3 t -110.7 62.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.48 125.04 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.04 -39.69 95.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.753 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -101.64 61.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.65 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -159.35 138.64 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.508 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -70.14 173.04 7.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.488 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m 62.87 16.77 9.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.18 149.1 36.29 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.13 -21.55 67.77 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 C-N-CA 122.915 2.41 . . . . 0.0 112.082 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 80.3 p -99.05 -1.15 40.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' B' ' 63' ' ' MET . 70.2 t80 -104.75 125.76 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.706 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.86 145.0 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.54 147.5 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.372 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . 0.41 ' HE3' ' CE1' ' B' ' 60' ' ' PHE . 24.3 ptp -150.0 171.32 17.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -84.49 179.81 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -70.43 -40.93 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -48.62 80.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.42 95.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 110.326 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.27 90.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 345' ' ' VAL . . . -61.25 -40.91 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.452 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.445 HD12 ' HB2' ' A' ' 355' ' ' ALA . 43.0 mm -63.13 -46.16 96.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -62.89 -38.96 92.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.128 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.27 97.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.21 -45.08 93.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.211 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.52 -40.61 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp -55.99 -45.58 78.97 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.34 -41.37 93.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.109 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.08 -45.17 87.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.299 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.431 HG23 ' H ' ' B' ' 80' ' ' ALA . 7.6 tt -81.68 -9.56 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 t30 55.44 37.1 28.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.431 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -56.86 141.61 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -74.77 142.96 44.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.929 0.395 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.09 -38.87 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.213 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.65 -9.12 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.7 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -67.47 -34.48 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.244 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -119.31 86.09 32.41 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.54 -26.28 44.76 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.018 2.479 . . . . 0.0 112.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.8 -39.92 90.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.372 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.06 -47.2 85.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.433 . . . . 0.0 110.205 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.9 -39.44 94.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -61.49 -41.26 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.212 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.3 t -61.31 -41.73 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' B' ' 30' ' ' LYS . 77.7 t -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.89 -40.39 95.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.268 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.05 -39.15 93.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.465 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.96 -36.23 78.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.43 139.98 84.55 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.829 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.52 136.58 31.32 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 121.868 1.712 . . . . 0.0 112.208 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . 0.401 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.59 1.59 86.8 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 71.6 t -102.93 124.26 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -129.29 147.66 65.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.735 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -68.94 -20.46 38.77 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.298 1.999 . . . . 0.0 112.155 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.22 -13.63 60.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.49 130.66 45.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -38.89 88.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.13 96.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.53 -46.38 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.28 -40.95 98.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -62.61 -43.0 99.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.625 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.83 -41.79 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.92 -39.75 94.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.313 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.45 97.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.2 p -67.12 -38.69 86.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.92 -44.94 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 -179.756 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 tppt? . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.89 0.376 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.65 -41.22 94.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.444 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.95 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.379 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.64 98.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HG3' HG22 ' A' ' 338' ' ' VAL . 88.0 tttt -63.52 -43.04 98.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -61.31 -42.49 98.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.81 -46.57 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.517 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.94 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.17 -46.64 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.576 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 71.6 t80 -62.58 -49.23 76.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -64.24 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 0.9 OUTLIER -69.25 -39.1 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 176.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.868 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 59.8 tp -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.21 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.8 p -80.73 -55.01 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.31 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.12 -52.82 63.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.668 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 96.29 -166.24 24.27 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 171.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 29.2 p -100.69 -11.89 19.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.582 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.49 -17.95 57.41 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -80.05 120.67 24.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.336 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.84 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.56 132.99 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.1 p -96.35 5.0 51.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.97 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -103.05 118.14 36.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.191 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.84 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.298 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.45 59.08 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.505 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -157.56 140.46 15.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.729 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.87 163.44 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.99 0.424 . . . . 0.0 110.383 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.06 18.92 2.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.592 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 151.72 47.23 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.129 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.98 -31.6 46.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.448 2.098 . . . . 0.0 112.451 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.33 8.16 2.95 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 120.596 3.554 . . . . 0.0 120.596 167.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' B' ' 40' ' ' LEU . 72.9 t80 -125.09 127.55 47.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -172.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.84 144.25 40.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.208 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.62 141.82 58.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.385 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.8 ptp -148.13 170.1 18.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.718 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.59 163.27 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . 0.401 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -60.41 -39.92 89.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.527 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -61.84 -49.93 74.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.358 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.576 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -62.57 -38.91 91.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.315 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.19 91.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.625 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -63.84 -44.78 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.427 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -61.71 -42.19 98.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.64 -41.18 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.53 -43.55 98.54 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.31 -39.49 93.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ALA . 24.5 mt -60.61 -40.96 93.76 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.379 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.15 -44.7 94.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.919 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 pt -85.81 -1.83 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 54.56 40.4 31.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.265 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.31 141.39 24.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.01 144.35 47.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.4 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.033 179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.943 0.401 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 335' ' ' LEU . 90.8 t -65.34 -30.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.467 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.775 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.0 mmt -59.21 -26.19 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.46 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -71.47 -6.0 37.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.591 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -125.49 67.63 57.92 Favored Pre-proline 0 C--O 1.238 0.451 0 CA-C-O 121.325 0.583 . . . . 0.0 110.193 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.32 -29.53 72.67 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.642 2.228 . . . . 0.0 112.133 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.11 -45.13 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.98 -44.19 93.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.185 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.538 HD11 HG12 ' A' ' 328' ' ' VAL . 86.8 mt -62.05 -39.53 92.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.784 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.82 -41.47 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.44 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 70.5 m -61.37 -41.23 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . 0.433 HG11 HG21 ' B' ' 33' ' ' ILE . 53.1 t -61.69 -45.14 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.693 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . 0.438 HD22 ' HB1' ' B' ' 69' ' ' ALA . 88.4 mt -61.6 -40.74 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.34 -38.03 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -59.02 -38.29 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.211 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.2 mt -57.52 141.94 77.86 Favored Pre-proline 0 N--CA 1.448 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.861 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.55 136.39 33.43 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.417 2.078 . . . . 0.0 112.389 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.9 84.96 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.13 124.63 69.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.276 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -136.87 149.38 66.55 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.64 -19.77 59.91 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.707 2.271 . . . . 0.0 112.252 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -71.5 -17.53 62.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 132.97 54.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.519 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.46 -36.3 82.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.306 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.68 96.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.01 -46.92 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.819 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.73 -45.8 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.28 -38.42 91.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.0 97.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.12 -39.21 92.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.35 97.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 72.5 m -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.775 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.2 tp -60.35 -45.16 94.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.372 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.831 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.023 0.44 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.84 -41.93 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.0 98.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.46 98.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -44.41 97.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.54 -43.6 96.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 338' ' ' VAL . 83.1 mt -61.47 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.48 -39.5 94.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -62.78 -42.92 99.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' B' ' 82' ' ' LEU . 37.9 m-85 -66.25 -42.85 88.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 92.1 t80 -62.31 -50.01 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -63.4 -40.85 98.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.02 -38.61 89.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.799 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' B' ' 75' ' ' LEU . 87.2 mt -71.68 -39.08 70.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.054 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' TYR . 77.1 p -80.58 -13.99 58.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.954 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -118.04 -70.63 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 115.52 -152.04 18.2 Favored Glycine 0 N--CA 1.468 0.802 0 N-CA-C 105.015 -3.234 . . . . 0.0 105.015 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 p -99.18 -13.03 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.604 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.22 -18.61 47.69 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.85 143.35 49.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -61.87 -18.48 60.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.5 150.13 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 49.8 t -141.66 137.0 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.463 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -93.04 2.6 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -97.67 118.68 34.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.7 OUTLIER -60.47 -38.87 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.393 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -94.37 59.89 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.2 t -154.07 139.51 17.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.57 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -69.5 161.95 28.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.62 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 151.26 42.02 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.54 -25.15 35.18 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.849 2.366 . . . . 0.0 112.39 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -88.76 16.82 6.22 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 172.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -139.43 124.54 18.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -170.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -102.47 132.42 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.451 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -45.92 136.17 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mmt -114.02 147.75 38.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.97 179.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.117 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.37 -40.67 97.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.715 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.78 -43.55 54.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.5 91.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.472 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -70.48 -37.69 74.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 -175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.438 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.62 -45.37 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.292 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.248 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.39 -44.65 95.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.96 -40.87 91.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.534 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' B' ' 40' ' ' LEU . 20.4 mt -62.42 -41.58 98.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.705 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -45.55 94.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -56.43 -46.88 80.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.415 HG21 HD13 ' B' ' 78' ' ' ILE . 19.2 pt -82.4 -7.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 52.72 41.65 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.702 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.61 138.38 34.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -59.77 144.64 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.631 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' B' ' 36' ' ' TYR . 76.2 mt . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.909 0.385 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' B' ' 29' ' ' ALA . 78.4 t -64.24 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.682 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.29 -23.75 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -84.75 3.58 36.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.78 73.53 54.18 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.987 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.35 -27.61 71.49 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.363 2.042 . . . . 0.0 112.167 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.34 -44.39 96.6 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -67.08 -44.04 81.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.406 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.52 -39.63 94.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -61.6 -41.69 97.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.6 m -62.04 -41.12 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.37 -44.29 98.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.19 -41.04 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.486 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.41 -39.83 95.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -59.38 -36.76 76.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.108 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.4 mt -57.01 144.15 69.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.059 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.72 137.17 34.93 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.114 1.876 . . . . 0.0 112.432 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 73.99 8.14 77.64 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.0 t -111.67 124.32 68.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -130.73 147.93 68.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.78 -20.13 46.29 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -81.26 -0.96 43.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.477 ' ND2' ' HB3' ' B' ' 66' ' ' ASN . 48.2 t30 -69.36 133.64 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.404 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.13 -38.12 85.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.315 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.82 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.34 -46.27 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.4 -39.78 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.602 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.57 -41.81 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.0 mmt -64.42 -38.99 92.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.381 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.31 97.95 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.656 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.89 -45.23 90.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 179.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.702 0.287 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.48 -42.53 99.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.711 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.43 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.51 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -62.35 -41.74 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.49 -43.18 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -61.58 -41.5 97.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.1 -45.22 93.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.813 0.34 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.6 -44.15 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.191 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -62.31 -42.17 99.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.72 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.65 -41.62 92.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -61.55 -49.18 77.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.37 -39.05 88.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.646 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' B' ' 60' ' ' PHE . 59.1 tp -66.93 -44.82 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -72.34 -27.44 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.38 -77.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.913 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.606 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 130.29 -149.11 18.85 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 107.518 -2.233 . . . . 0.0 107.518 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -99.52 -8.95 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.47 -17.84 56.39 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.44 147.47 50.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -61.85 -39.91 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.31 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.61 131.26 41.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.263 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 52.3 t -123.63 129.11 50.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.624 HG22 ' O ' ' B' ' 50' ' ' THR . 86.5 m -95.19 56.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -146.59 126.42 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.77 -41.52 97.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.33 60.04 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.715 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 12.2 t -171.53 143.82 1.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.606 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -70.96 -178.75 2.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.016 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.53 9.98 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.14 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.56 120.13 50.39 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.84 -34.95 23.13 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.257 1.971 . . . . 0.0 112.659 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.2 p -70.01 -24.3 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.797 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 80.4 t80 -102.25 134.0 46.24 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -107.83 146.34 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -55.75 138.59 47.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.26 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 67.4 mmm -120.15 157.65 28.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.544 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -72.82 171.32 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.91 -43.08 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . 0.477 ' HB3' ' ND2' ' A' ' 349' ' ' ASN . 11.2 m-80 -66.73 -45.75 77.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 110.803 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.0 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.769 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.25 89.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.084 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.4 mm -64.96 -44.97 96.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.0 110.406 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -64.51 -39.62 94.12 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.59 -41.06 96.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.77 -44.09 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.437 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.28 -39.48 93.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 72' ' ' ALA . 20.2 mt -60.78 -42.22 97.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.94 0.4 . . . . 0.0 110.355 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.27 -45.16 94.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.15 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -56.26 -47.24 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.363 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -81.99 -4.59 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.635 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.14 41.22 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.77 29.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.029 0.443 . . . . 0.0 110.198 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.59 144.03 46.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.777 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.56 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 121.087 0.47 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.488 ' CG1' HD21 ' A' ' 335' ' ' LEU . 61.6 t -61.71 -39.39 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.499 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.613 ' SD ' HD21 ' A' ' 359' ' ' LEU . 25.0 mmt -64.08 -9.99 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.58 -28.18 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.58 84.51 30.29 Favored Pre-proline 0 C--O 1.237 0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -33.05 83.66 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.827 2.351 . . . . 0.0 111.806 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.08 -41.38 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.067 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 338' ' ' VAL . 73.6 t80 -61.8 -45.44 93.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.441 . . . . 0.0 109.921 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 328' ' ' VAL . 86.6 mt -62.59 -40.04 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.51 -41.52 98.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 94.1 p -62.67 -35.33 79.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.658 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 334' ' ' PHE . 74.5 t -62.82 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.097 0.475 . . . . 0.0 110.167 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . 0.594 HD22 ' HB1' ' B' ' 69' ' ' ALA . 53.7 mt -62.26 -41.75 98.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.02 -39.18 93.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.64 -37.85 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.7 mt -59.29 142.37 86.46 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 136.96 31.86 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.995 1.797 . . . . 0.0 112.332 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.03 2.88 87.76 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.03 126.39 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.368 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -130.92 148.59 70.83 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.12 -18.77 51.39 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.539 2.16 . . . . 0.0 112.137 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -78.72 -0.17 29.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.88 135.93 43.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.056 0.455 . . . . 0.0 110.288 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -64.89 -37.82 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.468 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.62 97.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.816 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -63.53 -43.99 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -60.17 -46.88 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.501 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.71 -38.73 91.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.69 97.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -39.54 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.68 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.19 -43.98 97.79 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 88.9 p -66.98 -39.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.75 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.613 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.1 tp -62.98 -44.35 96.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.426 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.72 0.295 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.47 -42.87 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.31 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.22 97.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.3 95.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -63.92 -43.26 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.82 -45.39 94.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.869 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -42.12 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.725 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.18 -42.72 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.15 -39.9 94.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.45 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.06 -42.74 99.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -66.43 -41.37 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 86.3 t80 -60.95 -50.02 75.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -70.0 -35.17 74.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.005 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.28 -39.25 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.977 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.705 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 78.3 mt -69.89 -41.07 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.283 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 37' ' ' TYR . 73.8 p -75.45 -29.81 59.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -98.23 -58.92 1.86 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -173.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 98.88 -162.25 20.27 Favored Glycine 0 N--CA 1.472 1.056 0 N-CA-C 103.185 -3.966 . . . . 0.0 103.185 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -99.42 -13.14 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.99 46.82 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.15 144.6 46.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.533 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.94 -39.38 94.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.41 137.04 52.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.1 t -134.95 130.79 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.174 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 74.0 p -87.79 -0.16 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -95.45 116.27 28.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.21 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -89.53 58.81 4.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -155.34 142.47 19.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.413 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.71 172.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.085 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m 63.71 20.51 12.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.352 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.76 151.24 45.2 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.408 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.19 -20.78 55.98 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -94.04 16.68 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -148.82 125.61 11.18 Favored 'General case' 0 CA--C 1.454 -2.736 0 CA-C-O 122.275 1.036 . . . . 0.0 108.28 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.64 150.9 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.206 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -57.56 136.22 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.28 160.37 34.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.877 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.18 178.46 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.231 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.69 -42.21 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -63.05 -49.19 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.408 0.623 . . . . 0.0 110.622 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.73 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.285 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -64.14 -38.41 90.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.76 -41.93 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.28 -44.44 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -62.45 -40.14 95.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.899 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.88 -45.04 91.18 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.608 ' O ' HG22 ' B' ' 78' ' ' ILE . 79.1 mm-40 -65.27 -39.77 93.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.579 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -62.11 -43.19 99.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.546 0.688 . . . . 0.0 110.547 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.25 -45.79 91.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.099 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.86 -48.37 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.608 HG22 ' O ' ' B' ' 74' ' ' GLU . 11.7 tt -79.04 -9.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.594 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 54.42 36.84 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.456 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.59 143.28 25.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.05 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -67.22 142.74 56.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.529 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.435 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.731 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.913 0.387 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.514 ' CG1' HD21 ' A' ' 335' ' ' LEU . 78.3 t -59.98 -38.93 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.2 mmt -64.75 -3.79 3.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -123.22 82.42 51.87 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-O 121.154 0.502 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.5 -35.09 91.63 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.842 2.361 . . . . 0.0 111.374 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.57 -39.2 92.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -62.15 -45.2 94.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.023 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.514 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.5 mt -61.62 -39.81 92.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.85 -40.77 96.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 71.3 m -60.9 -39.61 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.25 -45.16 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.228 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 339' ' ' LEU . 89.3 mt -61.07 -40.23 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.227 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.95 -38.86 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.07 -39.25 85.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.194 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' B' ' 37' ' ' TYR . 96.7 mt -56.87 135.18 79.4 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.972 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.0 137.82 32.62 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.256 1.971 . . . . 0.0 112.702 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.35 1.76 86.52 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 65.6 t -112.99 123.73 68.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.241 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -135.37 152.62 76.96 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.839 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.0 -25.5 79.81 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.63 2.22 . . . . 0.0 112.079 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.0 -15.41 62.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.424 ' HB2' HD13 ' A' ' 352' ' ' ILE . 87.3 m-20 -66.01 134.66 53.36 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.004 0.43 . . . . 0.0 110.537 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.34 87.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.43 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.21 -43.99 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -61.64 -45.66 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.439 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.05 -38.29 90.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.58 -38.98 91.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.05 98.19 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 71.7 m -65.64 -41.11 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 329' ' ' MET . 61.2 tp -62.03 -44.94 95.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.711 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.133 0 CA-C-O 120.757 0.313 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.372 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.88 92.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.68 98.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.42 -44.85 96.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.62 -45.76 92.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.406 HD12 ' HE1' ' B' ' 76' ' ' TYR . 90.2 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.441 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.12 -44.48 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.63 -40.86 96.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.327 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -62.83 -41.63 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.77 -42.66 94.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.415 ' CD2' HD22 ' A' ' 342' ' ' LEU . 86.7 t80 -60.77 -49.28 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.717 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' B' ' 42' ' ' GLU . 41.1 m170 -67.79 -33.72 75.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.12 -37.9 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.469 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' B' ' 75' ' ' LEU . 88.3 mt -69.55 -38.53 77.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.23 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -87.82 -11.19 48.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.267 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.463 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 71.6 mm-40 -121.68 -67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 93.33 -152.58 20.96 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 174.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 p -99.34 -13.47 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 -18.16 42.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -81.05 142.89 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.07 -38.69 87.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.62 42.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -145.69 135.83 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.344 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.0 p -92.73 2.73 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -104.93 114.23 28.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.494 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -59.95 -38.65 83.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.229 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -92.46 59.45 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 50.9 t -150.53 134.84 17.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.708 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.69 159.71 6.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p 76.31 -21.17 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.047 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' B' ' 55' ' ' ALA . 47.3 t -65.51 127.47 93.01 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -50.13 -36.12 44.6 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.448 2.099 . . . . 0.0 112.295 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.6 p -76.91 -17.38 58.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -91.37 132.03 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.94 145.95 33.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.26 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -61.22 143.87 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.309 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ptp -147.9 171.36 15.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' ND2' ' B' ' 66' ' ' ASN . 1.4 m-20 -80.68 169.3 17.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -35.39 78.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' B' ' 64' ' ' ASP . 1.5 p30 -64.39 -49.36 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.44 95.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.206 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.97 96.18 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.418 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.32 95.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.95 -47.25 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -64.06 -40.09 95.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.62 97.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.28 -44.66 94.43 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.33 -40.01 93.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.495 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' B' ' 40' ' ' LEU . 23.3 mt -60.36 -42.34 95.58 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 123.248 0.343 . . . . 0.0 110.658 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.492 ' OH ' HG21 ' A' ' 328' ' ' VAL . 88.4 t80 -61.1 -45.12 96.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.197 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -57.24 -46.22 83.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.756 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.39 -2.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 57.43 38.94 28.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.37 142.62 21.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -70.19 145.3 51.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.856 0.36 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 335' ' ' LEU . 92.6 t -66.49 -39.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.3 -35.04 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -71.38 2.49 4.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -128.48 76.83 78.03 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.43 -31.9 92.54 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.645 2.23 . . . . 0.0 111.92 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.4 -43.57 98.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -66.36 -42.96 87.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 328' ' ' VAL . 84.9 mt -62.54 -39.49 93.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.47 -43.04 99.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.266 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 91.0 p -63.4 -37.9 89.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.02 -45.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.92 -39.42 94.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.57 -39.84 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.567 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.02 -41.5 96.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.674 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.6 mt -45.28 107.64 0.67 Allowed Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.39 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.59 140.57 90.25 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.788 1.659 . . . . 0.0 112.095 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.79 2.64 90.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 66.4 t -125.43 129.6 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . 0.499 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 92.8 m-20 -125.77 148.51 62.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.811 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -19.94 54.42 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.446 2.097 . . . . 0.0 112.092 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.61 -12.97 60.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.703 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 98.6 m-20 -65.43 141.24 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.006 0.432 . . . . 0.0 110.358 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -64.32 -37.73 88.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.49 97.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.575 HD13 HD11 ' B' ' 70' ' ' ILE . 39.5 mm -64.68 -44.95 96.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.934 0.397 . . . . 0.0 110.551 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.72 -39.84 95.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.588 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.2 mmt -64.7 -39.37 93.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.413 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.97 98.33 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.6 m -64.99 -40.24 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.61 -44.34 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.702 -179.649 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.745 0.307 . . . . 0.0 110.611 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -62.56 -42.41 99.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.96 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.11 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.381 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.28 -44.4 95.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.685 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -60.79 -45.0 96.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.748 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.25 -48.09 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.82 -44.53 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.925 0.393 . . . . 0.0 110.143 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.99 -40.22 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.219 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -61.27 -42.02 97.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.77 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -66.22 -42.6 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.521 ' CZ ' HG21 ' B' ' 41' ' ' THR . 89.1 t80 -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.04 -45.69 91.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.488 ' OE1' HD23 ' B' ' 82' ' ' LEU . 63.1 tt0 -63.56 -38.92 92.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' B' ' 75' ' ' LEU . 82.5 mt -67.53 -39.92 85.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.893 0.378 . . . . 0.0 110.994 177.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.521 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 75.7 p -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -127.5 -80.98 0.6 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.801 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.653 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 135.8 -151.76 20.77 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -98.58 -12.77 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.816 0.341 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.81 49.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -72.38 142.28 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.13 -39.54 92.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.471 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.72 131.51 54.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.43 127.74 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -100.16 10.22 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -97.31 119.22 35.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -60.46 -39.16 86.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.538 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -93.51 59.39 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -158.01 139.51 13.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.326 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -67.04 171.94 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.247 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 m 63.69 19.75 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.066 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 40.9 t -106.73 131.38 21.75 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -47.88 -36.49 26.94 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.951 1.767 . . . . 0.0 112.405 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.29 -19.09 54.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -87.81 130.98 34.69 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -99.38 132.56 44.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.192 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -57.67 140.51 51.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.9 162.02 30.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.839 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.09 171.91 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.914 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . 0.502 ' ND2' ' H ' ' B' ' 66' ' ' ASN . 0.3 OUTLIER -64.38 -46.56 82.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.107 0.48 . . . . 0.0 110.289 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.23 90.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.318 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.49 89.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.91 95.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.588 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -66.18 -43.15 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -62.57 -39.96 95.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.789 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.15 98.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.244 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.26 -44.23 95.73 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -40.64 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' B' ' 40' ' ' LEU . 32.4 mt -64.38 -32.91 74.72 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.75 -41.89 91.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.04 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -42.52 84.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 pt -92.21 -6.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 52.88 39.15 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.096 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.2 142.73 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -73.34 145.23 46.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.487 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.612 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.888 0.375 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 335' ' ' LEU . 85.4 t -69.71 -39.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.684 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -60.47 -34.66 74.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.36 -0.38 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -125.69 69.27 63.28 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.28 -29.47 73.03 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.525 2.15 . . . . 0.0 112.123 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.73 -45.54 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.298 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.9 -43.84 91.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.309 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 328' ' ' VAL . 83.3 mt -61.72 -39.97 93.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.658 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 347' ' ' PRO . 63.6 tt0 -61.37 -42.29 98.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.409 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.5 t -61.14 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -44.74 99.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.151 0.5 . . . . 0.0 110.399 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.34 -41.65 97.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.281 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.44 -37.08 86.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.281 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.8 -38.84 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.279 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.1 mt -57.58 144.34 72.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.989 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.69 135.31 30.3 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.196 1.931 . . . . 0.0 112.379 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 76.45 7.26 85.16 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.3 t -113.44 124.66 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.368 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -135.95 149.2 67.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.972 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . 0.415 ' HB3' HE21 ' A' ' 336' ' ' GLN . 36.4 Cg_endo -65.53 -18.04 58.58 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.605 2.204 . . . . 0.0 112.083 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.68 -9.91 59.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -71.16 138.07 49.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.993 0.425 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.08 -37.23 85.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.89 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.57 -43.61 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.674 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -39.3 93.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.42 96.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.71 -39.22 93.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.33 97.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 97.1 p -68.79 -36.67 78.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.684 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.7 tp -58.55 -45.14 89.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm . . . . . 0 N--CA 1.458 -0.037 0 CA-C-O 120.994 0.426 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -60.02 -43.5 95.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.538 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.12 97.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.522 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.63 98.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -41.83 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.15 -43.79 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -61.54 -42.51 98.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.594 HD12 ' HE1' ' B' ' 76' ' ' TYR . 89.7 mt -62.35 -45.87 91.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.697 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.55 -43.98 98.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.371 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.93 -43.28 98.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.36 -42.07 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -63.95 -41.33 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.401 ' CD2' HD22 ' A' ' 342' ' ' LEU . 89.8 t80 -60.49 -48.46 81.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.575 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -62.62 -41.87 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -62.38 -37.35 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 111.628 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.55 -39.32 88.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.1 p -88.73 -10.19 49.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -123.5 -71.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.646 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 115.91 -141.42 16.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 105.6 -3.0 . . . . 0.0 105.6 172.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 p -99.59 -10.61 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.95 -17.59 56.26 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.67 144.19 55.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.38 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.2 -39.57 93.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.98 128.32 38.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -134.7 133.02 39.56 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -103.06 77.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -147.17 132.59 18.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.78 -39.53 94.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -105.69 64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -168.4 138.31 2.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.486 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.646 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -69.16 178.42 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.006 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m 63.12 15.99 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 96.6 m -103.14 148.12 35.17 Favored Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.33 -18.23 49.92 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.669 2.246 . . . . 0.0 112.254 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 p -101.81 0.3 35.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -104.96 126.94 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.72 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.39 131.49 51.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.036 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -47.6 139.72 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtt -127.79 154.33 45.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.157 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.25 173.85 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.102 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -61.41 -43.46 98.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.66 -45.86 81.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.531 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.52 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.243 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.02 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.38 89.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.78 -46.19 95.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -64.1 -39.79 94.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.32 96.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.965 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.01 -43.59 98.52 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.693 ' O ' HG22 ' B' ' 78' ' ' ILE . 96.5 mt-10 -63.74 -39.3 93.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.426 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.91 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.562 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.594 ' HE1' HD12 ' B' ' 32' ' ' LEU . 91.7 t80 -64.35 -47.2 80.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.162 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -59.91 -47.95 83.7 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 74' ' ' GLU . 16.2 tt -80.1 -9.35 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.25 38.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.49 143.75 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.73 144.29 50.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.559 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 6.3 mp . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.687 -179.859 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.799 0.333 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 335' ' ' LEU . 77.4 t -64.86 -39.93 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.528 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.1 mmt -60.53 -35.03 75.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.68 0.93 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.45 66.03 61.33 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.482 . . . . 0.0 110.107 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.32 -29.3 63.45 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.565 2.177 . . . . 0.0 112.222 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.28 -45.95 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.117 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -66.03 -42.44 89.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 328' ' ' VAL . 84.1 mt -61.11 -40.31 93.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.741 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.35 -42.28 98.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -62.63 -40.78 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -46.23 96.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.22 -41.66 98.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.67 -38.67 89.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.512 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.4 mt -57.26 141.77 76.77 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.168 1.912 . . . . 0.0 112.355 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.55 3.48 86.61 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.78 124.98 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.44 149.02 71.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.98 -17.93 51.67 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.626 2.217 . . . . 0.0 112.163 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.15 -9.45 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.628 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -66.07 137.2 56.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.124 0.488 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -65.58 -37.06 85.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.3 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -63.43 -44.85 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.698 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.27 -47.37 86.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.53 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.86 -42.7 99.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.7 mmt -64.34 -39.1 93.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.82 98.59 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.7 t -63.89 -43.24 96.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.954 0.407 . . . . 0.0 110.454 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -61.88 -43.44 98.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.262 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 -179.622 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.236 0.541 . . . . 0.0 110.186 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -63.01 -40.42 97.71 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.98 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.6 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.65 91.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.375 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.45 -44.35 95.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.36 -41.03 96.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.547 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.5 mm? -63.39 -50.86 68.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.155 0.503 . . . . 0.0 110.558 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.49 -42.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.275 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.69 -40.58 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.81 -41.17 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.574 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' B' ' 82' ' ' LEU . 46.5 m-85 -66.89 -39.68 87.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 41' ' ' THR . 87.7 t80 -60.96 -48.31 82.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.187 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -62.54 -40.6 97.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.284 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.446 ' OE1' HD23 ' B' ' 82' ' ' LEU . 57.6 tt0 -62.53 -39.75 94.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 111.295 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' B' ' 75' ' ' LEU . 96.7 mt -72.73 -38.47 67.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.479 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 72.0 p -85.05 -4.39 59.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.109 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 1.4 tt0 -145.5 -64.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.217 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.3 -132.27 11.18 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 106.869 -2.493 . . . . 0.0 106.869 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -104.94 -14.19 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.14 -17.89 30.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.773 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -39.36 87.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.705 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.73 126.88 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -149.12 138.41 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 73.7 p -97.38 7.02 47.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -106.74 114.52 28.66 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.13 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.62 -39.39 88.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -93.29 59.39 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.22 135.47 17.97 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.976 0.417 . . . . 0.0 110.912 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -55.67 165.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p 67.17 -4.76 0.79 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.444 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . 0.402 ' H ' ' C ' ' B' ' 55' ' ' ALA . 48.5 t -86.15 128.31 58.22 Favored Pre-proline 0 CA--C 1.513 -0.461 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.7 -26.28 16.99 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.344 2.029 . . . . 0.0 112.447 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 79.5 p -88.32 9.77 22.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -135.75 131.62 35.78 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -170.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.32 149.51 29.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -53.02 141.88 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.2 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 77.3 mmm -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.819 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.54 171.13 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.845 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.4 -40.22 95.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -73.31 -44.5 58.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.471 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.19 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.14 90.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -64.23 -46.68 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.05 -38.8 92.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.13 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.01 -45.43 89.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.575 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.51 -37.59 85.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.803 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' B' ' 40' ' ' LEU . 19.7 mt -66.34 -39.44 89.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.15 -44.78 94.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.026 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -55.26 -48.26 74.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.6 -3.37 6.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.659 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.45 40.99 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 140.66 20.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.026 0.441 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.38 144.39 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.913 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' B' ' 36' ' ' TYR . 82.8 mt . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.784 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.862 0.363 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.01 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.3 mmt -60.72 -35.34 76.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -72.1 6.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -130.7 75.32 79.0 Favored Pre-proline 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.88 -34.36 96.85 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.794 2.33 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.33 -44.41 95.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.795 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.26 -45.69 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.85 -39.77 94.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.8 -42.4 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 46.9 t -60.66 -43.65 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.88 -45.34 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.64 -38.98 89.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -39.54 94.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.08 -41.52 96.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 7.5 mp -47.99 110.88 1.52 Allowed Pre-proline 0 N--CA 1.447 -0.612 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.3 137.64 71.59 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.275 1.983 . . . . 0.0 112.212 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . 0.406 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 81.72 -0.22 88.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' B' ' 66' ' ' ASN . 58.2 t -121.93 125.95 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -130.56 148.69 71.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.88 -21.47 57.4 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.727 2.284 . . . . 0.0 112.21 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -71.65 -15.28 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.14 140.65 58.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -65.2 -30.49 71.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.15 99.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.328 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.593 HD13 HD11 ' B' ' 70' ' ' ILE . 43.2 mm -65.67 -44.32 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.88 -45.94 92.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.771 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.58 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.62 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.71 -43.09 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 35.9 mmt -64.08 -39.2 93.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.546 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.36 -43.76 98.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 94.8 p -67.51 -35.67 79.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.508 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.08 -45.02 91.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.83 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.324 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.2 -42.27 99.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.9 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.11 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.1 99.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.84 -41.94 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.11 -43.14 99.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.662 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.81 -45.38 94.08 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.51 -43.65 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.273 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -42.36 99.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.93 -43.33 99.07 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' B' ' 82' ' ' LEU . 34.2 m-85 -64.81 -44.38 90.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.5 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.568 ' CZ ' HG21 ' B' ' 41' ' ' THR . 85.0 t80 -63.16 -48.12 79.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.915 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.14 -47.53 85.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -35.71 79.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' B' ' 60' ' ' PHE . 61.2 tp -67.26 -45.57 76.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.77 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 73.0 p -72.69 -28.04 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -103.14 -78.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.629 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 136.81 -155.26 22.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 108.25 -1.94 . . . . 0.0 108.25 175.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 p -98.25 -12.75 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.08 -18.6 39.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -72.19 142.03 49.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.579 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.74 -39.12 93.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.7 134.89 53.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.3 t -138.11 127.66 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 79.0 p -103.94 10.1 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -95.2 115.53 27.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.23 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.73 59.91 2.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.571 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.08 141.65 16.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.629 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -72.63 172.46 10.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.268 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.49 17.77 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.6 t -105.28 131.98 21.28 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -46.77 -36.65 19.89 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.452 2.101 . . . . 0.0 112.371 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.5 p -79.6 -19.94 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.794 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' B' ' 40' ' ' LEU . 66.3 t80 -88.11 131.3 34.75 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 116.536 2.051 . . . . 0.0 116.536 172.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.99 146.28 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -60.75 140.17 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.86 164.58 24.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.746 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.92 166.57 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.599 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . 0.406 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.2 m-20 -63.63 -40.67 97.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 345' ' ' VAL . 0.1 OUTLIER -67.48 -46.86 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 110.288 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.57 97.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.144 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.38 90.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.205 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.79 91.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.4 mm -62.71 -45.04 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -62.74 -39.54 94.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.68 -40.61 95.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.002 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.43 -43.66 98.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.7 mt-10 -64.32 -39.02 93.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 72' ' ' ALA . 46.3 mt -60.5 -40.22 90.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.186 0.517 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.44 -46.11 87.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.284 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -58.68 -46.65 86.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.556 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.575 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.4 tt -81.32 -11.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 59.3 t30 56.62 37.86 29.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.255 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.46 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.46 140.28 34.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.04 140.02 54.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' B' ' 36' ' ' TYR . 35.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.871 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 66.3 t0 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.024 0.44 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' B' ' 29' ' ' ALA . 82.3 t -61.67 -41.3 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.457 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.61 -24.77 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -88.77 11.73 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -129.08 76.46 79.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.32 -37.11 97.47 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.79 2.327 . . . . 0.0 111.979 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -41.69 98.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.54 -44.84 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.86 -40.03 96.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.96 -41.38 97.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -61.2 -39.29 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . 0.558 HG11 HG21 ' B' ' 33' ' ' ILE . 59.2 t -62.04 -44.1 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 0.0 110.539 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.52 -40.46 94.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.333 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.77 88.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -59.99 -39.79 86.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.13 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.3 mt -61.15 138.6 94.42 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.21 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.57 137.28 30.05 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.059 1.84 . . . . 0.0 112.773 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.22 2.13 86.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.74 124.11 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.84 0.352 . . . . 0.0 110.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -145.24 153.92 53.16 Favored Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.763 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.17 -22.14 63.09 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.816 2.344 . . . . 0.0 112.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.22 -19.04 63.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.545 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.27 127.39 32.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.337 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.1 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.38 -45.1 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -60.75 -45.95 92.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.62 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.56 -40.57 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.8 mmt -65.14 -39.3 92.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.97 96.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 47.7 t -64.58 -43.32 94.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.892 0.377 . . . . 0.0 110.406 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.88 88.79 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.475 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.623 0.249 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -59.28 -46.81 87.54 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.212 -179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.46 95.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.375 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.453 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -59.62 -44.94 93.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.05 -43.15 93.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -63.91 -42.12 97.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.41 -45.32 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.544 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.558 HG21 HG11 ' A' ' 338' ' ' VAL . 84.6 mt -62.12 -44.79 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.35 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.418 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.6 tt0 -62.13 -43.67 98.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' B' ' 39' ' ' GLN . 99.1 mtt180 -62.72 -41.92 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.52 -43.01 98.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.692 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.5 ' CZ ' HG21 ' B' ' 41' ' ' THR . 65.2 t80 -62.37 -49.79 74.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.762 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 78.5 m-70 -65.18 -38.73 91.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 28.0 tp60 -63.17 -40.08 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 5.4 mp -72.23 -43.12 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 68.5 p -71.85 -29.62 64.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -101.04 -81.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.54 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 129.51 -164.44 22.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 5.1 p -99.48 -9.58 23.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -18.32 57.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.69 139.17 57.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.349 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -63.42 -39.77 95.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.58 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.94 84.19 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.71 137.45 58.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -97.72 7.57 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -103.88 123.59 47.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.182 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.6 -39.67 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -91.52 59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -163.45 144.99 9.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.528 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.54 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -67.02 176.12 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m 64.55 16.83 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.04 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.13 130.13 24.91 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.0 -37.01 21.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.413 2.076 . . . . 0.0 112.417 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.08 -13.56 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.682 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.96 121.8 42.4 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.577 3.151 . . . . 0.0 109.592 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -109.14 140.4 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.375 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.62 136.47 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -129.03 163.74 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.956 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 167.94 15.63 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -45.63 93.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.731 176.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -48.16 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.689 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.9 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.13 77.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.99 94.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.0 mm -61.62 -46.35 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.277 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.12 -39.38 92.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.016 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.63 97.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.142 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.54 -44.01 95.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.51 -40.49 97.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.77 -40.16 91.48 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.236 0.335 . . . . 0.0 110.117 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.12 -41.84 97.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -57.71 -44.21 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.446 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.13 -2.33 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.705 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 52.23 40.53 29.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.336 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.2 138.69 31.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.64 144.28 51.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 179.693 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.961 0.41 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.99 -35.52 65.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.6 mmt -58.47 -34.36 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.08 1.91 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -129.79 74.43 80.68 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.683 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.39 -33.66 96.62 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.753 2.302 . . . . 0.0 112.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.19 -45.76 92.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.076 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.83 -45.2 93.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.64 -40.08 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -41.77 98.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.32 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 72.8 m -62.36 -41.45 98.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . 0.418 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.6 mt -62.18 -41.79 98.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -38.63 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.479 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.84 -36.99 77.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.387 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 342' ' ' LEU . 93.2 mt -59.98 140.89 90.24 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.912 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.49 137.5 36.38 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.894 1.729 . . . . 0.0 112.242 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . 0.404 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.55 1.18 86.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.88 125.83 69.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.687 0.279 . . . . 0.0 110.53 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . 0.506 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 96.9 m-20 -134.44 149.26 70.61 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.05 -22.39 62.23 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.357 2.038 . . . . 0.0 112.111 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.97 -14.82 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 99.0 m-20 -64.06 135.89 56.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.098 0.475 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -64.41 -37.25 86.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.46 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.28 -44.33 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.19 -47.28 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.13 -40.26 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.81 -42.85 99.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -39.78 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.665 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.73 96.39 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.5 m -65.68 -41.92 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -63.9 -44.15 93.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.221 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.766 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.857 0.36 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -62.95 -41.18 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.39 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.71 95.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.42 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -63.22 -42.68 99.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -46.37 89.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.46 -43.76 98.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.77 -44.95 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.243 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.405 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.1 tt0 -61.31 -43.53 98.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.995 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.23 -40.28 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.644 ' O ' HG23 ' B' ' 41' ' ' THR . 93.5 t80 -62.52 -49.62 74.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 84.4 m-70 -64.54 -41.94 96.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -65.06 -42.25 94.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.456 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 54.0 tp -68.82 -42.66 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.644 HG23 ' O ' ' B' ' 37' ' ' TYR . 68.3 p -71.26 -29.32 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -105.43 -76.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.664 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 137.47 -153.96 22.26 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 176.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -98.71 -12.63 20.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.682 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.82 -18.12 49.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -71.64 138.93 49.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.622 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.25 -39.75 95.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.552 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.9 126.19 53.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -141.97 129.37 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -113.2 68.68 0.68 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -147.29 125.66 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -62.75 -38.81 92.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.52 60.24 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.636 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 t -162.8 136.97 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.664 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -73.94 173.19 10.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.4 m 63.7 18.61 11.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.988 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 90.0 m -100.91 150.48 37.08 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.191 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.93 -32.43 47.48 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.144 1.896 . . . . 0.0 112.477 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.4 p -92.97 12.67 23.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.058 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -113.14 125.93 54.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 -172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -113.44 138.5 50.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -53.34 128.13 27.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.64 167.93 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.641 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.99 169.4 18.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . 0.404 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -63.88 -41.03 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.732 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -45.0 72.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.035 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.65 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.034 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.144 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.97 -41.56 92.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.524 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -65.59 -44.35 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.52 -40.9 98.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.324 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.28 -43.49 97.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.22 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.03 -39.55 95.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.22 -36.67 84.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.243 0.544 . . . . 0.0 110.176 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.4 -49.08 79.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.636 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -69.07 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.692 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 tt -81.21 -9.46 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.45 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 55.17 39.01 31.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.293 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.71 140.14 36.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -71.03 143.06 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.761 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.81 179.578 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 65.0 t0 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.776 0.322 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.42 -41.82 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.2 mmt -60.63 -35.96 77.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.36 5.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.047 0.451 . . . . 0.0 110.356 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -129.01 75.82 79.95 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.55 -36.57 97.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.764 2.31 . . . . 0.0 111.893 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -62.14 -41.4 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.27 -48.1 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.61 -40.12 96.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.0 m -61.23 -42.46 98.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.673 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.46 -45.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.415 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . 0.657 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.2 mt -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.75 -38.03 89.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.546 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -59.2 -37.97 78.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.991 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.8 mt -58.47 142.96 81.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.012 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.5 135.52 31.28 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.129 1.886 . . . . 0.0 112.575 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.64 2.46 85.34 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.0 124.96 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.358 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -134.4 148.5 67.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.48 -19.92 48.36 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.489 2.126 . . . . 0.0 112.257 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.09 -4.66 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.74 138.79 50.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.38 -38.94 91.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.44 92.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.839 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -66.21 -42.61 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.629 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.29 -47.23 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.786 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.99 -39.72 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.533 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.22 98.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -39.46 94.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.09 -43.36 98.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 92.3 p -64.86 -38.49 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.63 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.86 -44.55 92.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.423 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 -179.427 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mttm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.99 0.424 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.59 -42.09 99.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.79 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.64 99.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -44.33 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -61.44 -42.92 99.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.53 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.6 mt -62.46 -44.93 95.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.797 0.332 . . . . 0.0 110.115 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.69 -45.43 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.603 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.51 -44.72 93.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.07 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.626 ' CD2' HD21 ' B' ' 82' ' ' LEU . 30.2 m-85 -64.81 -43.63 92.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.698 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . 0.406 ' O ' HG23 ' B' ' 41' ' ' THR . 91.3 t80 -62.61 -49.63 74.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.642 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -66.89 -35.27 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.368 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.15 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.899 0.381 . . . . 0.0 111.443 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' B' ' 75' ' ' LEU . 97.2 mt -72.2 -39.13 68.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.091 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 37' ' ' TYR . 59.6 p -82.12 -16.06 51.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . 0.466 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 98.7 mt-10 -115.48 -63.81 1.4 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -174.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.679 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 103.86 -165.88 15.52 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 106.516 -2.634 . . . . 0.0 106.516 174.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.14 -13.28 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.61 -18.24 44.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.09 138.44 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -39.79 95.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.28 125.56 45.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.1 t -150.53 131.24 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.605 ' O ' HG23 ' B' ' 50' ' ' THR . 8.6 t -86.0 66.37 9.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.648 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -141.57 113.84 8.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' OG1' ' B' ' 59' ' ' THR . 0.8 OUTLIER -70.47 -12.95 61.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.48 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.68 59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.33 139.62 9.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.146 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -78.55 165.83 23.27 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.439 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.77 14.24 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.357 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 p -127.14 147.11 60.43 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.9 -21.29 44.11 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.623 2.216 . . . . 0.0 112.363 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.473 ' H ' HG23 ' B' ' 59' ' ' THR . 1.4 p -71.04 -21.94 62.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.721 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -133.46 132.66 41.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.479 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.68 148.75 24.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -56.32 136.49 53.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.212 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.3 tpp -125.35 172.0 9.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 166.98 22.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.049 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.96 -41.33 99.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.356 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.32 -47.42 82.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.87 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.319 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -62.15 -38.96 91.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.311 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . 0.657 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.95 -42.11 93.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.533 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.5 mm -63.76 -45.14 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.243 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.18 -39.9 94.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.381 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.16 96.25 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.67 -45.25 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.538 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.4 mt-10 -67.25 -39.97 86.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.724 ' CD1' HD11 ' B' ' 40' ' ' LEU . 27.8 mt -62.5 -40.47 96.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.072 0.463 . . . . 0.0 110.174 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.53 ' HE1' HD12 ' B' ' 32' ' ' LEU . 84.3 t80 -62.15 -46.25 89.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.208 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -57.81 -48.36 79.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.538 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.7 tt -80.74 -11.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.614 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.8 37.65 28.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.49 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -57.15 141.34 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.69 146.76 39.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.624 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp . . . . . 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 -179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.915 0.388 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 328' ' ' VAL . . . . . 0.643 HG21 ' OH ' ' B' ' 76' ' ' TYR . 80.6 t -68.3 -38.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 329' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.0 mmt -64.62 -11.36 34.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.658 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -68.47 -35.42 77.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -116.23 72.48 4.85 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.11 -19.97 68.22 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 122.428 2.085 . . . . 0.0 112.408 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.87 -39.66 92.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.18 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -63.48 -44.87 93.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.46 . . . . 0.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 335' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 328' ' ' VAL . 87.5 mt -62.05 -39.1 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.5 -42.41 96.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.201 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.0 t -61.78 -43.2 99.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.525 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.06 -43.31 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.105 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.74 -39.51 91.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.82 -40.42 97.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.259 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -59.93 -41.47 91.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 342' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.8 mt -42.41 106.33 0.46 Allowed Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.173 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.66 139.42 76.54 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.025 1.817 . . . . 0.0 112.345 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.82 0.69 89.71 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 67.8 t -127.62 131.08 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -129.83 150.42 75.82 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.71 -17.49 59.23 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.457 2.104 . . . . 0.0 112.161 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.18 -12.16 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -64.68 136.24 56.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.578 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.87 -38.75 92.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.272 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.65 95.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 352' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.15 -44.72 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.729 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.32 -46.28 90.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.614 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -62.82 -41.39 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 355' ' ' ALA . . . . . 0.495 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.23 -41.72 97.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.5 mmt -63.78 -39.33 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.438 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 -43.74 98.65 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.8 p -66.54 -38.23 86.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 359' ' ' LEU . . . . . 0.407 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.1 tp -62.72 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.111 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.768 -179.58 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.912 0.387 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.23 -39.87 94.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.34 93.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.423 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.19 93.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.34 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.22 96.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.451 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.662 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -60.91 -43.08 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.849 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.8 mt -61.24 -51.26 69.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.7 -44.82 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.233 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.44 -45.21 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.26 -41.3 97.0 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.866 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' TYR . . . . . 0.55 ' CD2' HD21 ' B' ' 82' ' ' LEU . 25.8 m-85 -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.49 -49.75 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.62 -33.92 74.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.257 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.78 -37.23 85.74 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.482 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.414 HD11 HD12 ' B' ' 75' ' ' LEU . 82.4 mt -68.23 -39.78 82.21 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.384 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 57.5 p -87.1 -11.78 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.458 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -112.64 -58.78 2.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 98.38 -164.67 21.25 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 103.633 -3.787 . . . . 0.0 103.633 170.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.67 -13.21 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.824 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -17.56 40.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -72.15 129.37 38.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.478 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.77 -39.99 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.535 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.42 106.75 17.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 t -137.16 125.6 23.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' THR . . . . . 0.63 ' O ' HG23 ' B' ' 50' ' ' THR . 7.0 t -113.47 74.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.6 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -147.04 126.69 13.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.176 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.98 -39.3 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -93.98 61.46 2.99 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 31.0 t -162.98 141.1 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -85.13 167.68 15.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.468 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.58 -3.88 2.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.15 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 85.6 m -74.4 149.71 86.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.079 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.94 -37.03 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.125 1.883 . . . . 0.0 112.506 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -84.01 -10.36 57.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.919 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -96.61 127.92 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.684 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.9 145.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.3 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.81 147.01 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.87 168.06 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.764 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.02 161.47 26.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.34 -34.48 73.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.609 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -70.17 -46.43 64.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.245 0.545 . . . . 0.0 110.211 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.11 95.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.036 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.12 90.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.95 91.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ILE . . . . . 0.495 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.4 mm -63.59 -45.51 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.398 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.071 0.463 . . . . 0.0 109.92 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.7 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.354 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.77 -44.21 96.78 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.353 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' GLU . . . . . 0.719 ' O ' HG22 ' B' ' 78' ' ' ILE . 98.5 mt-10 -63.01 -39.42 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.414 HD12 HD11 ' B' ' 40' ' ' LEU . 46.2 mt -61.65 -41.15 97.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.17 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' TYR . . . . . 0.643 ' OH ' HG21 ' A' ' 328' ' ' VAL . 87.8 t80 -62.62 -47.33 84.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.59 -49.69 75.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . 0.719 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.5 tt -80.61 -7.33 10.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.686 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 t30 47.08 40.06 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.463 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -62.25 142.12 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.345 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -74.13 145.75 44.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.531 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LEU . . . . . 0.621 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.82 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 308' ' ' ILE . 1.1 p . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -59.3 -36.2 75.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.442 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.47 -37.62 78.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.569 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . 0.436 ' O ' ' O ' ' A' ' 305' ' ' SER . 87.1 mt -112.57 123.04 67.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.088 0.47 . . . . 0.0 110.581 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -61.99 -40.53 95.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.536 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.74 90.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.61 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 73.8 m -63.16 -40.18 96.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 313' ' ' ALA . 67.3 m -62.07 141.68 57.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.642 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 312' ' ' SER . . . 65.18 7.57 4.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.661 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 26.2 mmt -131.15 135.75 47.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 50.12 38.47 17.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 94.3 m -113.0 126.55 55.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.507 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 66.0 m -128.93 152.23 48.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.606 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -138.28 73.52 43.55 Favored Pre-proline 0 C--O 1.235 0.337 0 CA-C-O 121.486 0.66 . . . . 0.0 110.485 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.66 139.35 90.37 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.686 2.257 . . . . 0.0 111.976 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -147.39 68.55 1.14 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.83 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -91.1 -109.23 0.09 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.709 176.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 57.37 -95.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.915 0.388 . . . . 0.0 110.683 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 20.7 pt-20 -52.42 -24.35 7.66 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -65.09 -15.83 62.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.526 -179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.63 -37.07 84.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.623 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -56.81 129.7 42.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.718 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -117.09 125.76 51.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.579 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.487 ' CG1' HD21 ' A' ' 335' ' ' LEU . 73.6 t -66.95 -38.49 81.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.424 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.9 mmt -58.89 -20.36 50.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 -179.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 30.2 mm100 -82.13 1.73 34.75 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.53 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -130.6 75.08 79.46 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.062 0.458 . . . . 0.0 110.645 179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -57.5 -33.34 96.27 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.823 2.348 . . . . 0.0 111.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -60.34 -45.07 94.76 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.504 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . 0.452 ' O ' HG23 ' A' ' 338' ' ' VAL . 69.1 t80 -65.28 -42.92 92.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.423 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.487 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.9 mt -62.37 -40.49 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 24.4 tm0? -62.11 -42.28 99.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.491 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 96.9 p -64.53 -36.34 83.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 334' ' ' PHE . 60.6 t -61.96 -47.77 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.613 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 339' ' ' LEU . 95.2 mt -62.76 -41.24 99.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.594 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.26 -38.16 89.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.576 179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -60.15 -37.54 80.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.365 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 97.1 mt -58.86 141.86 85.09 Favored Pre-proline 0 C--O 1.239 0.514 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.777 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -70.54 137.27 32.81 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.403 2.069 . . . . 0.0 112.194 -179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.95 1.41 84.85 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.8 t -108.57 125.76 65.43 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.515 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . 0.433 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 91.7 m-20 -132.3 148.33 69.29 Favored Pre-proline 0 N--CA 1.45 -0.466 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.947 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -66.37 -17.81 54.31 Favored 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 122.858 2.372 . . . . 0.0 112.27 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -83.8 -5.67 59.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.64 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.5 ' HB2' HD13 ' A' ' 352' ' ' ILE . 92.5 m-20 -71.56 136.11 47.32 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 121.014 0.435 . . . . 0.0 110.616 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.73 -38.76 92.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.493 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.34 -43.78 96.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.5 HD13 ' HB2' ' A' ' 349' ' ' ASN . 1.8 mp -63.44 -45.25 98.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.4 mmt-85 -64.65 -40.58 95.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.63 -41.78 98.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.7 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.48 98.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.7 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -39.59 93.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.99 94.59 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.079 -0.809 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 45.8 t -65.46 -46.2 80.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.738 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.443 ' CD1' ' HZ1' ' B' ' 77' ' ' LYS . 59.5 tp -62.22 -43.12 99.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.326 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.97 98.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.606 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 47.1 t -62.12 -44.67 96.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.561 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.81 -39.93 91.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.683 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.56 -42.13 99.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.833 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 91.5 m -127.5 127.33 43.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.615 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 65.2 tttp -93.15 127.18 38.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -60.21 138.19 57.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.659 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -104.24 11.52 51.54 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -69.64 139.69 53.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.86 0.362 . . . . 0.0 110.556 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 66.0 tttp -148.66 137.1 21.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.437 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . 0.444 ' O ' ' OE2' ' A' ' 374' ' ' GLU . 99.6 m-20 -60.14 139.05 57.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.618 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -102.32 -3.43 27.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.605 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -153.93 168.02 27.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.649 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 54.81 41.26 32.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 370' ' ' ASP . 78.7 mm-40 -63.53 -39.96 95.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.685 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -91.85 106.48 18.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.545 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.41 -44.63 95.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.574 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.597 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 14.7 mmt . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -61.49 -38.66 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.366 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -61.72 -42.35 98.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.3 97.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.515 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -41.28 96.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.622 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.96 -42.76 98.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.43 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 81.7 tttt -64.18 -42.48 96.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.827 179.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.7 m170 -60.88 -42.31 97.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.49 -47.43 85.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.174 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.5 mt -62.17 -43.7 98.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.423 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.12 -42.87 99.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.538 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -62.58 -42.46 99.57 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.967 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.448 ' CE2' ' HG ' ' B' ' 82' ' ' LEU . 28.6 m-85 -65.36 -41.91 93.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.756 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 90.6 t80 -61.53 -49.08 78.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.586 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -67.14 -35.11 79.01 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.378 0.511 . . . . 0.0 112.378 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' B' ' 83' ' ' CYS . 54.3 tt0 -63.24 -39.74 95.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.778 177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 6.7 mp -72.14 -36.98 69.52 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.943 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 62.8 p -87.02 -9.42 55.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.029 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.5 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 72.9 mm-40 -124.31 -66.88 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.663 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 95.38 -151.96 20.21 Favored Glycine 0 N--CA 1.466 0.692 0 N-CA-C 105.346 -3.102 . . . . 0.0 105.346 173.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.9 p -100.02 -11.74 20.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.904 0.383 . . . . 0.0 110.629 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 86.78 -17.6 39.64 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -83.25 141.26 31.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.331 . . . . 0.0 110.475 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.83 -39.1 90.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -96.27 131.45 42.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.562 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.2 t -147.77 136.77 22.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.439 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.0 p -95.36 6.79 48.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.63 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -105.69 116.5 32.05 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.502 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -61.11 -39.73 91.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.58 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -94.17 60.21 2.74 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.676 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 43.6 t -150.87 132.15 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.068 0.461 . . . . 0.0 110.499 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.663 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.16 160.28 5.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.429 179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.4 p 75.81 -20.56 0.35 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.465 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.447 ' H ' ' C ' ' B' ' 55' ' ' ALA . 49.1 t -66.75 123.91 87.15 Favored Pre-proline 0 N--CA 1.446 -0.64 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -48.99 -33.72 27.03 Favored 'Trans proline' 0 C--N 1.309 -1.525 0 C-N-CA 122.645 2.23 . . . . 0.0 112.434 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 58.9 p -79.63 -18.95 50.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -92.95 137.53 32.28 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 117.265 2.32 . . . . 0.0 117.265 171.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 73.3 mt -110.49 146.26 36.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.213 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -56.05 139.74 45.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.405 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 51.4 mmm -125.98 158.45 35.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.547 -179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -73.69 174.34 8.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.194 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.87 -40.27 97.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.554 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 -74.32 -43.06 58.3 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.583 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.93 -41.05 99.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.429 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.517 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -66.58 -38.52 87.21 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.52 -42.05 91.36 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.695 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -65.28 -44.96 94.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.196 179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.3 mtpp -62.13 -40.36 95.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.042 0.449 . . . . 0.0 110.073 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.47 99.46 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.399 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.5 tp -63.11 -44.18 96.35 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.564 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -63.16 -40.99 99.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.753 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.454 HD23 HD11 ' B' ' 78' ' ' ILE . 24.1 mt -61.1 -38.42 86.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.546 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -59.9 -44.51 94.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.538 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.443 ' HZ1' ' CD1' ' A' ' 359' ' ' LEU . 57.6 mtpt -59.3 -42.33 91.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 -178.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.454 HD11 HD23 ' B' ' 75' ' ' LEU . 36.3 pt -86.62 -3.76 9.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 32.8 m120 52.29 40.41 29.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.616 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.99 142.56 24.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.365 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.67 145.24 45.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.726 -179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.466 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp -86.15 155.33 20.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.644 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.416 ' H ' ' NE2' ' B' ' 39' ' ' GLN . 50.4 t -60.6 -47.63 85.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.575 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -70.99 148.72 94.63 Favored Pre-proline 0 N--CA 1.45 -0.425 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -68.51 150.52 75.36 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.71 2.273 . . . . 0.0 112.37 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 49.8 p-80 -69.76 148.28 96.54 Favored Pre-proline 0 N--CA 1.45 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.637 -179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo . . . . . 0 C--N 1.307 -1.613 0 C-N-CA 122.737 2.291 . . . . 0.0 112.335 178.889 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -66.44 144.22 56.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.458 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.84 104.56 17.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.763 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 17.3 tt -139.35 134.57 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.476 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.85 -39.46 94.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.761 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -64.67 137.32 57.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.642 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 93.5 p -82.8 -10.45 58.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.57 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 82.9 p -70.84 160.32 32.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.512 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 316' ' ' THR . . . -112.61 143.93 42.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.571 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 317' ' ' SER . 25.2 ptp -57.19 -24.2 52.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.635 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . 0.512 ' O ' ' N ' ' A' ' 317' ' ' SER . 65.4 t0 -59.74 -39.04 83.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.436 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 313' ' ' ALA . 7.2 t -41.27 -21.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.552 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' ' 315' ' ' ASP . 88.7 p -148.66 162.11 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -129.95 64.53 72.54 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.501 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.78 -16.84 29.63 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.931 2.421 . . . . 0.0 112.116 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -140.89 159.22 42.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.547 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -72.18 -11.81 60.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.517 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 59.49 32.28 21.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.775 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -65.16 -40.85 94.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.759 179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.83 -37.32 85.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -63.22 -37.72 88.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -42.14 127.42 3.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.597 -179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -117.6 125.88 51.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 63.2 t -64.0 -32.75 58.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.126 0.489 . . . . 0.0 110.6 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.601 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -59.63 -20.7 57.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.576 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.33 -0.62 23.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.645 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -130.37 74.81 79.93 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.747 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.46 -35.42 92.12 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.738 2.292 . . . . 0.0 112.097 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.44 -41.91 97.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.977 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -64.98 -44.06 90.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.61 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.18 -39.75 93.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.477 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -61.62 -41.55 97.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.637 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.4 m -61.58 -40.07 93.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.477 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . 0.541 HG11 HG21 ' B' ' 33' ' ' ILE . 65.1 t -61.3 -46.05 97.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.459 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.7 -40.46 97.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.522 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -65.46 -38.28 89.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.397 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.03 -39.6 86.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.449 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' B' ' 37' ' ' TYR . 98.6 mt -58.6 139.11 85.87 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.15 0.5 . . . . 0.0 110.505 -179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -70.31 136.78 32.37 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.513 2.142 . . . . 0.0 112.302 -179.082 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.18 0.81 84.21 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.082 -0.807 . . . . 0.0 111.082 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' B' ' 69' ' ' ALA . 64.2 t -120.34 126.78 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 110.504 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 349' ' ' ASN . 26.0 m-20 -139.16 152.04 68.9 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -48.62 -28.93 13.18 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.805 2.337 . . . . 0.0 114.372 172.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -69.75 -24.09 63.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 346' ' ' ASP . 2.4 m120 -52.56 124.17 12.96 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 173.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.68 -34.81 77.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.406 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.95 91.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.79 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.544 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -66.61 -41.83 88.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 0.0 110.923 179.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -61.74 -42.13 98.57 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.46 -40.16 92.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.755 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.445 ' HB2' HD12 ' B' ' 70' ' ' ILE . . . -63.08 -43.25 99.09 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.781 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 37.5 mmt -63.71 -38.82 92.56 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.564 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -61.42 -45.79 95.69 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.13 -41.63 90.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 0.0 110.789 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.601 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.4 tp -63.25 -42.63 99.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.604 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.67 -40.42 94.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.526 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 73.7 m -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.696 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -64.11 -39.43 94.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.476 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.55 144.47 57.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.535 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 98.1 m -122.77 131.57 53.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.729 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -103.93 138.25 40.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.539 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -60.34 -45.41 93.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.267 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 175.39 -174.91 47.09 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -130.85 130.23 43.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 110.349 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -85.13 153.4 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.817 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 55.5 50.58 14.34 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.749 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -60.24 144.12 51.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.539 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -72.34 144.77 48.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.387 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -85.94 131.43 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.18 142.98 52.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.72 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 53.7 p-10 -83.64 -179.03 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.493 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -129.97 150.48 51.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.459 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.9 tttp . . . . . 0 C--O 1.222 -0.378 0 CA-C-O 117.909 -1.043 . . . . 0.0 110.388 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 58.0 tpp . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -62.47 -39.17 92.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.641 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -59.75 -42.74 93.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.29 99.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.835 0.35 . . . . 0.0 110.587 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.75 -39.67 94.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.61 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.97 -40.7 94.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.372 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -61.36 -45.26 95.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.3 m170 -61.47 -41.65 97.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.68 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.2 mm? -61.37 -51.23 69.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.612 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.541 HG21 HG11 ' A' ' 338' ' ' VAL . 91.8 mt -60.0 -43.99 93.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.593 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -61.28 -39.62 91.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.768 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -63.07 -41.57 99.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.424 ' CD2' HD23 ' B' ' 75' ' ' LEU . 48.0 m-85 -66.13 -42.15 89.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.524 ' CD2' HD22 ' A' ' 342' ' ' LEU . 93.4 t80 -60.07 -49.29 78.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 52.7 m80 -65.81 -40.96 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -62.29 -42.37 99.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.413 HD11 HD22 ' B' ' 75' ' ' LEU . 82.4 mt -66.03 -38.9 89.58 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.022 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -82.79 -8.72 59.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.704 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -116.68 -99.37 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.508 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 144.51 -163.91 27.8 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.8 p -99.82 -13.63 19.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.767 0.318 . . . . 0.0 110.689 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.51 -18.04 40.46 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.73 136.11 45.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.676 0.274 . . . . 0.0 110.721 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.76 -40.51 95.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.548 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -111.51 127.67 55.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.573 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 44.8 t -145.05 131.3 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.528 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.507 ' O ' HG23 ' B' ' 50' ' ' THR . 6.3 t -110.7 62.1 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.662 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -133.48 125.04 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.491 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.04 -39.69 95.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.753 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -101.64 61.66 0.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.65 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.5 t -159.35 138.64 11.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.624 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.508 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -70.14 173.04 7.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.488 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m 62.87 16.77 9.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.271 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 99.0 m -102.18 149.1 36.29 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.13 -21.55 67.77 Favored 'Trans proline' 0 C--N 1.303 -1.866 0 C-N-CA 122.915 2.41 . . . . 0.0 112.082 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 80.3 p -99.05 -1.15 40.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.596 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.41 ' CE1' ' HE3' ' B' ' 63' ' ' MET . 70.2 t80 -104.75 125.76 51.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.706 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 87.1 mt -106.86 145.0 32.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.498 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.54 147.5 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.372 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . 0.41 ' HE3' ' CE1' ' B' ' 60' ' ' PHE . 24.3 ptp -150.0 171.32 17.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.617 -179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -84.49 179.81 7.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.049 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -70.43 -40.93 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.856 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -59.74 -48.62 80.97 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.509 -179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.94 -40.42 95.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.937 0.398 . . . . 0.0 110.326 178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.54 -39.27 90.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.353 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 345' ' ' VAL . . . -61.25 -40.91 95.84 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.452 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.445 HD12 ' HB2' ' A' ' 355' ' ' ALA . 43.0 mm -63.13 -46.16 96.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.204 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -62.89 -38.96 92.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.128 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.27 97.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.21 -45.08 93.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.211 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.52 -40.61 93.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.424 HD23 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp -55.99 -45.58 78.97 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.347 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.34 -41.37 93.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.109 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -58.08 -45.17 87.58 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.299 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.431 HG23 ' H ' ' B' ' 80' ' ' ALA . 7.6 tt -81.68 -9.56 11.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.846 0.355 . . . . 0.0 110.798 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.5 t30 55.44 37.1 28.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.343 -179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.431 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -56.86 141.61 44.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.43 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -74.77 142.96 44.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.5 mt -74.83 151.85 39.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.834 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.1 t -60.28 -46.15 90.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.546 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -70.55 148.02 95.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -68.25 149.95 76.24 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.828 2.352 . . . . 0.0 112.143 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -132.86 75.28 72.87 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo . . . . . 0 C--N 1.305 -1.731 0 C-N-CA 122.84 2.36 . . . . 0.0 112.161 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.489 1.493 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.05 -40.42 93.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.599 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.62 143.96 57.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.395 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 84.7 mt -115.97 124.61 72.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.618 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -84.12 -178.49 6.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.746 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -151.14 155.21 38.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.628 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 42.8 t -64.13 139.96 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.451 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 68.9 m -68.01 145.36 54.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.666 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -153.41 154.1 33.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.593 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.0 ttp -133.17 129.58 38.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.532 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -69.09 148.86 49.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.686 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 81.1 p -70.33 -17.17 63.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.457 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 92.8 p -71.61 -13.25 61.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.723 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 57.79 59.68 6.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.22 152.62 56.13 Favored 'Trans proline' 0 C--N 1.308 -1.573 0 C-N-CA 122.786 2.324 . . . . 0.0 112.233 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -63.34 144.3 57.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.328 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -80.03 171.54 14.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.577 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 52.45 41.67 30.91 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-O 120.948 0.404 . . . . 0.0 110.581 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.495 ' HG3' ' HZ1' ' B' ' 25' ' ' LYS . 24.5 pt-20 -62.32 -21.11 65.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.769 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.96 -20.92 66.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.455 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.04 -37.32 86.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -55.59 129.15 37.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.67 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -119.79 124.54 46.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.347 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.09 -38.87 81.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.213 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 25.8 mmt -64.65 -9.12 17.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.7 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -67.47 -34.48 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.244 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 -119.31 86.09 32.41 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.454 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.54 -26.28 44.76 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 123.018 2.479 . . . . 0.0 112.11 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.8 -39.92 90.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.372 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -62.06 -47.2 85.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.008 0.433 . . . . 0.0 110.205 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 88.9 mt -62.9 -39.44 94.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.725 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -61.49 -41.26 96.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.212 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.3 t -61.31 -41.73 97.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.436 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . 0.401 HG22 ' HG3' ' B' ' 30' ' ' LYS . 77.7 t -61.97 -43.38 97.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.89 -40.39 95.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.268 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.05 -39.15 93.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.004 0.431 . . . . 0.0 110.465 179.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.96 -36.23 78.85 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.786 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 92.6 mt -58.43 139.98 84.55 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.829 -178.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -70.52 136.58 31.32 Favored 'Trans proline' 0 N--CA 1.49 1.308 0 C-N-CA 121.868 1.712 . . . . 0.0 112.208 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.401 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.59 1.59 86.8 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 71.6 t -102.93 124.26 56.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 C-N-CA 120.84 -0.344 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -129.29 147.66 65.95 Favored Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.735 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -68.94 -20.46 38.77 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 122.298 1.999 . . . . 0.0 112.155 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -75.22 -13.63 60.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -63.49 130.66 45.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-O 120.844 0.354 . . . . 0.0 110.367 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.36 -38.89 88.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.198 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.68 -42.13 96.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.556 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.8 mm -62.53 -46.38 96.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.772 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.28 -40.95 98.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.646 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -62.61 -43.0 99.91 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.625 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.83 -41.79 98.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.766 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.0 mmt -63.92 -39.75 94.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.313 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.22 -44.45 97.04 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.2 p -67.12 -38.69 86.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.771 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 60.3 tp -62.92 -44.94 94.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.214 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.48 -40.7 95.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.707 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 73.8 m -62.24 -41.77 98.72 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.73 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -64.25 -40.2 95.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.628 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.72 -41.31 97.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.514 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 59.3 p -82.51 164.7 20.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.62 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -68.92 134.11 49.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -88.56 105.39 17.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.451 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 178.11 -179.51 48.45 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -73.07 144.1 47.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.794 0.33 . . . . 0.0 110.686 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -72.89 146.07 46.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.58 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . 0.439 ' OD1' ' N ' ' A' ' 371' ' ' LYS . 59.4 p30 -64.37 -13.93 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.63 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . 0.439 ' N ' ' OD1' ' A' ' 370' ' ' ASP . 88.1 tttt -61.3 -40.56 94.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.263 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -126.86 148.31 49.99 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.694 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -150.25 154.32 37.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.597 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.16 -39.97 96.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.522 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -93.17 102.13 14.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -60.88 -23.54 65.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.75 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 62.0 pttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.68 -179.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 91.5 mmm . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.495 ' HZ1' ' HG3' ' A' ' 323' ' ' GLU . 6.7 tppt? -62.39 -40.75 97.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.282 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -60.65 -41.22 94.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.444 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.95 97.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.379 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.52 95.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.619 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.64 98.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.194 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.401 ' HG3' HG22 ' A' ' 338' ' ' VAL . 88.0 tttt -63.52 -43.04 98.32 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.666 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 -61.31 -42.49 98.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.81 -46.57 87.34 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.517 179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.94 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.513 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.92 -45.55 93.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.41 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 83.4 mtm180 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.144 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.17 -46.64 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.556 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.576 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 71.6 t80 -62.58 -49.23 76.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.165 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -64.24 -38.41 90.95 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.419 ' O ' ' HG3' ' B' ' 39' ' ' GLN . 0.9 OUTLIER -69.25 -39.1 78.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.037 176.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.868 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 59.8 tp -61.08 -43.54 98.73 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.21 -179.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 68.8 p -80.73 -55.01 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.31 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -60.12 -52.82 63.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 176.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.668 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 96.29 -166.24 24.27 Favored Glycine 0 N--CA 1.471 0.969 0 N-CA-C 104.009 -3.636 . . . . 0.0 104.009 171.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 29.2 p -100.69 -11.89 19.59 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.582 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.49 -17.95 57.41 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -80.05 120.67 24.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.753 0.311 . . . . 0.0 110.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.36 -41.85 97.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.336 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -93.81 54.84 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.683 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -64.56 132.99 51.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.1 p -96.35 5.0 51.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.97 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -103.05 118.14 36.14 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.875 0.369 . . . . 0.0 110.191 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 58.9 mp0 -60.84 -39.21 88.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.298 -179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -91.45 59.08 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.505 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.5 t -157.56 140.46 15.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.729 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.868 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.87 163.44 24.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.99 0.424 . . . . 0.0 110.383 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.06 18.92 2.42 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.592 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -116.38 151.72 47.23 Favored Pre-proline 0 CA--C 1.534 0.364 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.129 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.98 -31.6 46.32 Favored 'Trans proline' 0 N--CA 1.498 1.792 0 C-N-CA 122.448 2.098 . . . . 0.0 112.451 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.33 8.16 2.95 Favored 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 120.596 3.554 . . . . 0.0 120.596 167.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.562 ' CE1' HD11 ' B' ' 40' ' ' LEU . 72.9 t80 -125.09 127.55 47.07 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 104.831 -2.285 . . . . 0.0 104.831 -172.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 83.1 mt -110.84 144.25 40.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.208 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -62.62 141.82 58.32 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.385 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.8 ptp -148.13 170.1 18.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.718 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -73.59 163.27 28.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.441 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . 0.401 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -60.41 -39.92 89.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.527 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -61.84 -49.93 74.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.302 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.48 -41.23 98.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.358 179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.576 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -62.57 -38.91 91.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.315 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -41.19 91.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.693 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.625 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -63.84 -44.78 98.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.427 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -61.71 -42.19 98.61 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.467 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.64 -41.18 97.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.438 179.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.53 -43.55 98.54 Favored 'General case' 0 CA--C 1.528 0.126 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.167 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.31 -39.49 93.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.773 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' B' ' 72' ' ' ALA . 24.5 mt -60.61 -40.96 93.76 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.861 0.362 . . . . 0.0 110.379 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -60.15 -44.7 94.78 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.919 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 16.5 ttmm -56.28 -44.79 80.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.66 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 35.8 pt -85.81 -1.83 7.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.397 . . . . 0.0 110.757 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 54.56 40.4 31.82 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.265 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.31 141.39 24.25 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.01 144.35 47.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.884 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 85.4 mt -74.08 152.66 39.88 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.408 ' HB3' ' NE2' ' B' ' 39' ' ' GLN . 52.8 t -59.66 -48.56 81.19 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.715 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -129.46 147.67 66.12 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.589 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -69.07 153.51 72.0 Favored 'Trans proline' 0 N--CA 1.494 1.536 0 C-N-CA 122.397 2.064 . . . . 0.0 112.073 179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -69.74 148.86 96.73 Favored Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.67 -179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo . . . . . 0 N--CA 1.494 1.533 0 C-N-CA 122.339 2.026 . . . . 0.0 112.201 179.35 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.47 -40.3 94.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.53 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -61.91 -40.13 94.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 94.3 mt -61.37 -45.5 98.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -62.37 -39.23 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.514 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 52.14 -101.55 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.57 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 83.2 p -71.81 160.72 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.539 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . 0.492 ' OG ' ' SD ' ' A' ' 314' ' ' MET . 98.3 p -155.27 166.94 31.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.737 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.55 -40.47 96.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.801 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . 0.492 ' SD ' ' OG ' ' A' ' 312' ' ' SER . 93.8 mmm 56.85 43.06 25.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.594 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -63.82 146.68 53.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.517 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 95.5 m -113.37 125.31 54.11 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.462 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 64.1 m -72.99 148.66 44.0 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.576 -179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 320' ' ' ALA . 74.0 mm-40 -129.63 148.5 69.67 Favored Pre-proline 0 N--CA 1.448 -0.543 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.624 179.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_exo -45.87 -10.06 0.04 OUTLIER 'Trans proline' 0 N--CA 1.491 1.339 0 C-N-CA 122.833 2.355 . . . . 0.0 112.155 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 318' ' ' GLU . . . -59.9 -38.27 81.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.542 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.525 ' O ' ' N ' ' A' ' 323' ' ' GLU . 26.3 pttm -55.73 -158.16 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 54.81 -82.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.58 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' A' ' 321' ' ' LYS . 16.5 tm-20 -60.71 -44.16 96.92 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 120.71 0.29 . . . . 0.0 110.529 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -64.48 -43.05 95.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.653 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 326' ' ' TYR . 99.6 m-20 -63.12 -39.8 95.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . 0.442 ' O ' ' CD2' ' A' ' 326' ' ' TYR . 69.1 t80 39.4 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.653 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -76.08 115.07 15.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.538 HG12 HD11 ' A' ' 335' ' ' LEU . 90.8 t -65.34 -30.76 51.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.467 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.775 ' SD ' HD21 ' A' ' 359' ' ' LEU . 21.0 mmt -59.21 -26.19 64.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.46 -179.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -71.47 -6.0 37.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.591 179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -125.49 67.63 57.92 Favored Pre-proline 0 C--O 1.238 0.451 0 CA-C-O 121.325 0.583 . . . . 0.0 110.193 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -63.32 -29.53 72.67 Favored 'Trans proline' 0 N--CA 1.492 1.387 0 C-N-CA 122.642 2.228 . . . . 0.0 112.133 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.11 -45.13 94.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.39 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -63.98 -44.19 93.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.185 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.538 HD11 HG12 ' A' ' 328' ' ' VAL . 86.8 mt -62.05 -39.53 92.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.784 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.82 -41.47 95.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.44 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 70.5 m -61.37 -41.23 96.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.694 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . 0.433 HG11 HG21 ' B' ' 33' ' ' ILE . 53.1 t -61.69 -45.14 99.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.693 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . 0.438 HD22 ' HB1' ' B' ' 69' ' ' ALA . 88.4 mt -61.6 -40.74 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.475 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.34 -38.03 86.71 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.353 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -59.02 -38.29 78.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.211 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.2 mt -57.52 141.94 77.86 Favored Pre-proline 0 N--CA 1.448 -0.545 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.861 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.55 136.39 33.43 Favored 'Trans proline' 0 C--N 1.312 -1.352 0 C-N-CA 122.417 2.078 . . . . 0.0 112.389 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 77.33 4.9 84.96 Favored Glycine 0 CA--C 1.521 0.441 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 53.3 t -112.13 124.63 69.02 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.276 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 41.2 p-10 -136.87 149.38 66.55 Favored Pre-proline 0 N--CA 1.451 -0.388 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.721 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.64 -19.77 59.91 Favored 'Trans proline' 0 C--N 1.31 -1.495 0 C-N-CA 122.707 2.271 . . . . 0.0 112.252 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -71.5 -17.53 62.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.583 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -62.01 132.97 54.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.923 0.392 . . . . 0.0 110.519 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.46 -36.3 82.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.306 179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.95 -41.68 96.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.597 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 4.3 mm -62.01 -46.92 95.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.819 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.3 ttm-85 -61.73 -45.8 92.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.555 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.28 -38.42 91.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.527 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.5 -43.0 97.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.554 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.12 -39.21 92.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.5 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.69 -43.35 97.99 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.083 -0.807 . . . . 0.0 111.083 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 72.5 m -64.52 -39.52 93.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.86 0.362 . . . . 0.0 110.493 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.775 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.2 tp -60.35 -45.16 94.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.372 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -85.88 -7.4 58.73 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.416 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 3.8 t 49.8 40.25 19.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.607 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 24.9 tm0? -63.08 -39.86 95.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.696 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.54 94.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.642 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . 0.874 HG22 ' H ' ' A' ' 366' ' ' ASP . 61.5 m -63.78 133.93 54.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.428 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -67.45 -17.18 64.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.674 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.874 ' H ' HG22 ' A' ' 364' ' ' THR . 96.9 m-20 56.1 39.25 30.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.601 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -85.97 -172.72 48.97 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.19 -39.79 93.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.786 0.327 . . . . 0.0 110.616 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 52.95 42.24 32.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.543 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.78 142.9 57.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.524 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . 0.443 ' O ' ' OE2' ' A' ' 374' ' ' GLU . 58.8 mtpt -128.82 151.77 49.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.693 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -79.72 156.31 27.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.542 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 55.31 55.24 7.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.651 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . 0.443 ' OE2' ' O ' ' A' ' 371' ' ' LYS . 74.3 mm-40 -62.59 147.11 50.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.622 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -85.95 105.52 16.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.425 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 60.1 mmtt -61.97 -39.83 93.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.806 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.562 179.786 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 66.9 mtt . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -62.6 -43.03 99.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.023 0.44 . . . . 0.0 110.358 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.84 -41.93 99.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.679 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.0 98.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.705 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.46 98.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.594 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.92 96.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.576 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -61.15 -44.41 97.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.595 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -62.15 -42.32 99.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.704 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 93.7 mt -63.54 -43.6 96.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 338' ' ' VAL . 83.1 mt -61.47 -45.81 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.666 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.48 -39.5 94.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.424 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -62.78 -42.92 99.91 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.854 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.575 ' CE2' HD21 ' B' ' 82' ' ' LEU . 37.9 m-85 -66.25 -42.85 88.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' B' ' 68' ' ' ALA . 92.1 t80 -62.31 -50.01 73.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.743 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -63.4 -40.85 98.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.592 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -62.02 -38.61 89.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.799 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.716 HD11 ' CD1' ' B' ' 75' ' ' LEU . 87.2 mt -71.68 -39.08 70.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.054 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.456 HG23 ' O ' ' B' ' 37' ' ' TYR . 77.1 p -80.58 -13.99 58.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.954 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -118.04 -70.63 0.78 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.752 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.57 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 115.52 -152.04 18.2 Favored Glycine 0 N--CA 1.468 0.802 0 N-CA-C 105.015 -3.234 . . . . 0.0 105.015 172.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.3 p -99.18 -13.03 19.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.604 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 90.22 -18.61 47.69 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.85 143.35 49.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.436 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -61.87 -18.48 60.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.581 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -142.5 150.13 40.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 49.8 t -141.66 137.0 31.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.463 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 81.6 p -93.04 2.6 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.603 -179.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 44.7 t-20 -97.67 118.68 34.75 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.463 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' B' ' 52' ' ' GLU . 0.7 OUTLIER -60.47 -38.87 85.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.393 -179.589 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -94.37 59.89 2.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.748 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.2 t -154.07 139.51 17.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.586 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.57 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -69.5 161.95 28.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.418 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.62 16.38 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.492 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 151.26 42.02 Favored Pre-proline 0 CA--C 1.549 0.904 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.164 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.54 -25.15 35.18 Favored 'Trans proline' 0 C--N 1.307 -1.628 0 C-N-CA 122.849 2.366 . . . . 0.0 112.39 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 7.4 p -88.76 16.82 6.22 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 172.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -139.43 124.54 18.86 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 -170.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -102.47 132.42 48.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.451 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.9 mmt180 -45.92 136.17 6.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.491 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mmt -114.02 147.75 38.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.815 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.97 179.58 1.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.117 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.37 -40.67 97.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.715 177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -74.78 -43.55 54.22 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.598 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.5 91.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.472 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -70.48 -37.69 74.29 Favored 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 -175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.438 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -60.02 -42.16 93.73 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.62 -45.37 92.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.292 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -62.26 -40.88 97.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.395 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.58 -42.2 98.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.248 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -62.39 -44.65 95.95 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.555 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -65.96 -40.87 91.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.534 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.716 ' CD1' HD11 ' B' ' 40' ' ' LEU . 20.4 mt -62.42 -41.58 98.81 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.705 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -61.05 -45.55 94.32 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.21 179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -56.43 -46.88 80.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.624 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.415 HG21 HD13 ' B' ' 78' ' ' ILE . 19.2 pt -82.4 -7.48 10.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 52.72 41.65 31.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.702 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.61 138.38 34.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 0.0 110.298 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -59.77 144.64 47.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.631 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.575 HD21 ' CE2' ' B' ' 36' ' ' TYR . 76.2 mt -84.67 152.79 23.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.785 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.5 t -60.68 -46.95 88.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.694 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -130.72 77.73 75.09 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.684 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.1 141.37 96.36 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.754 2.303 . . . . 0.0 111.772 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.626 ' N ' ' CD ' ' B' ' 87' ' ' PRO . 0.5 OUTLIER -65.05 -42.58 62.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.528 179.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' B' ' 86' ' ' HIS . 32.5 Cg_exo . . . . . 0 C--N 1.308 -1.555 0 C-N-CA 122.742 2.295 . . . . 0.0 112.172 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.362 -0.606 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.84 91.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.378 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.37 141.82 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.477 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 41.4 pt -128.53 155.95 40.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.759 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -64.84 142.37 58.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.702 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.86 94.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.572 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 46.6 t -60.89 -44.3 97.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.65 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 89.9 p -63.03 -37.9 89.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.527 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 316' ' ' THR . . . -62.81 -41.99 99.53 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.643 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 62.6 mtt -64.2 -39.69 94.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.624 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 68.5 t0 -60.74 -45.08 95.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.764 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.744 HG22 ' H ' ' A' ' 318' ' ' GLU . 63.2 m -124.46 128.25 48.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 87.3 p -72.1 -15.47 62.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . 0.744 ' H ' HG22 ' A' ' 316' ' ' THR . 85.6 tt0 -131.6 78.98 69.96 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.566 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_exo -55.68 -18.69 21.58 Favored 'Trans proline' 0 N--CA 1.495 1.603 0 C-N-CA 123.143 2.562 . . . . 0.0 111.791 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -61.88 -37.67 85.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.888 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -59.88 -47.79 84.33 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.673 -178.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -69.51 -35.66 75.71 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.619 -0.432 . . . . 0.0 110.468 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.45 -41.49 93.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.936 0.398 . . . . 0.0 110.703 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.57 -36.76 84.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.795 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 53.4 t0 -63.41 -15.42 57.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.545 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -49.01 126.03 11.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.922 0.391 . . . . 0.0 110.478 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -112.72 121.67 45.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.31 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.405 HG21 ' HB2' ' B' ' 29' ' ' ALA . 78.4 t -64.24 -39.62 86.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.682 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 91.2 mmm -63.29 -23.75 67.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.061 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -84.75 3.58 36.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.538 179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -123.78 73.53 54.18 Favored Pre-proline 0 C--O 1.236 0.394 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.987 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.35 -27.61 71.49 Favored 'Trans proline' 0 N--CA 1.494 1.509 0 C-N-CA 122.363 2.042 . . . . 0.0 112.167 -179.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.34 -44.39 96.6 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.62 -0.432 . . . . 0.0 110.367 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -67.08 -44.04 81.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.406 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.52 -39.63 94.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.685 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -61.6 -41.69 97.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.279 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.6 m -62.04 -41.12 97.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.644 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.4 t -63.37 -44.29 98.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.523 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.19 -41.04 96.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.486 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.41 -39.83 95.56 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.626 179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -59.38 -36.76 76.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.108 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.4 mt -57.01 144.15 69.58 Favored Pre-proline 0 C--N 1.324 -0.523 0 C-N-CA 120.308 -0.557 . . . . 0.0 111.059 -178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.72 137.17 34.93 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.114 1.876 . . . . 0.0 112.432 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 73.99 8.14 77.64 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.852 -0.899 . . . . 0.0 110.852 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 55.0 t -111.67 124.32 68.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -130.73 147.93 68.09 Favored Pre-proline 0 CA--C 1.533 0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -67.78 -20.13 46.29 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.467 2.111 . . . . 0.0 112.308 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 52.2 p30 -81.26 -0.96 43.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.981 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.477 ' ND2' ' HB3' ' B' ' 66' ' ' ASN . 48.2 t30 -69.36 133.64 48.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.404 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -61.13 -38.12 85.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.315 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.59 -42.16 98.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.582 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.1 mm -62.82 -45.95 97.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -60.34 -46.27 90.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.569 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.4 -39.78 95.44 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.618 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.602 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.57 -41.81 97.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.0 mmt -64.42 -38.99 92.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.381 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.04 -44.31 97.95 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.4 m -66.37 -39.66 89.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 0.0 110.656 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.89 -45.23 90.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.03 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -88.2 -9.45 52.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.536 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 39.2 m 50.52 43.95 27.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.451 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -98.04 85.11 3.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.689 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . 0.516 ' O ' ' O ' ' A' ' 364' ' ' THR . . . -150.42 151.76 33.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.577 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . 0.516 ' O ' ' O ' ' A' ' 363' ' ' ALA . 67.0 p 45.7 178.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.173 0.511 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -66.62 -40.43 88.77 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.654 179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -61.99 -49.01 77.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -69.28 -41.15 80.01 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -60.64 128.81 38.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.859 0.361 . . . . 0.0 110.584 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -75.64 144.24 41.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.622 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -62.37 -38.73 90.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 56.19 36.98 28.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.708 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 51.54 36.96 18.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.583 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 45.84 36.25 2.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.78 129.67 40.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.485 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . 0.4 ' OD1' ' C ' ' A' ' 375' ' ' ASP . 51.5 p-10 -84.78 -174.26 5.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.575 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -126.39 145.57 50.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.029 0.442 . . . . 0.0 110.385 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.3 tttt . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.317 -179.848 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -61.79 -39.9 93.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.621 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -62.48 -42.53 99.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.944 0.402 . . . . 0.0 110.711 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.43 99.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.58 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.96 -41.51 98.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.524 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -62.35 -41.74 98.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.528 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -63.49 -43.18 98.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.742 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -61.58 -41.5 97.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.797 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.1 -45.22 93.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.813 0.34 . . . . 0.0 110.522 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.6 -44.15 99.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.484 179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.09 -41.81 98.57 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.191 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 38.1 mmm-85 -62.31 -42.17 99.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.72 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -65.65 -41.62 92.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -61.55 -49.18 77.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.873 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 43.9 m170 -63.52 -42.11 98.46 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -66.37 -39.05 88.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.646 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.792 HD11 ' CZ ' ' B' ' 60' ' ' PHE . 59.1 tp -66.93 -44.82 79.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.526 179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 77.8 p -72.34 -27.44 62.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.002 -179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.38 -77.36 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.913 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.606 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 130.29 -149.11 18.85 Favored Glycine 0 N--CA 1.463 0.497 0 N-CA-C 107.518 -2.233 . . . . 0.0 107.518 174.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.1 p -99.52 -8.95 23.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.776 0.322 . . . . 0.0 110.78 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 92.47 -17.84 56.39 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -69.44 147.47 50.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.909 0.385 . . . . 0.0 110.378 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -61.85 -39.91 93.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.31 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -132.61 131.26 41.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.263 179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 52.3 t -123.63 129.11 50.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.745 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.624 HG22 ' O ' ' B' ' 50' ' ' THR . 86.5 m -95.19 56.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.579 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -146.59 126.42 13.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.376 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.77 -41.52 97.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.627 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -89.33 60.04 5.1 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.715 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 12.2 t -171.53 143.82 1.82 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.508 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.606 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -70.96 -178.75 2.03 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.016 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.53 9.98 4.6 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.14 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.7 t -105.56 120.13 50.39 Favored Pre-proline 0 CA--C 1.541 0.597 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.297 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -47.84 -34.95 23.13 Favored 'Trans proline' 0 N--CA 1.5 1.858 0 C-N-CA 122.257 1.971 . . . . 0.0 112.659 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.2 p -70.01 -24.3 63.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.797 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.792 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 80.4 t80 -102.25 134.0 46.24 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 114.59 1.33 . . . . 0.0 114.59 174.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -107.83 146.34 32.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.077 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -55.75 138.59 47.45 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.26 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 67.4 mmm -120.15 157.65 28.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.544 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -72.82 171.32 12.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.222 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.91 -43.08 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.476 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.477 ' HB3' ' ND2' ' A' ' 349' ' ' ASN . 11.2 m-80 -66.73 -45.75 77.64 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.022 0.439 . . . . 0.0 110.803 179.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.22 -43.0 92.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.769 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.25 89.24 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.084 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.97 96.9 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.956 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.602 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.4 mm -64.96 -44.97 96.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.133 0.492 . . . . 0.0 110.406 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -64.51 -39.62 94.12 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.012 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.432 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.59 -41.06 96.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.4 tp -62.77 -44.09 97.11 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 120.347 -0.541 . . . . 0.0 110.437 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -62.28 -39.48 93.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 -179.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' B' ' 72' ' ' ALA . 20.2 mt -60.78 -42.22 97.09 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.94 0.4 . . . . 0.0 110.355 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -60.27 -45.16 94.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.15 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -56.26 -47.24 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.363 -179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 pt -81.99 -4.59 8.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.635 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 63.3 t30 56.14 41.22 29.75 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.438 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.94 138.77 29.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.029 0.443 . . . . 0.0 110.198 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.59 144.03 46.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.718 -0.673 . . . . 0.0 110.777 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 80.7 mt -74.25 146.87 42.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.848 179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 52.6 t -60.83 -47.4 86.51 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.192 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -69.03 150.71 97.49 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.877 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -49.71 140.23 30.0 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.123 1.882 . . . . 0.0 112.213 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -69.64 148.67 96.85 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.061 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 N--CA 1.495 1.6 0 C-N-CA 122.516 2.144 . . . . 0.0 112.133 179.632 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -149.9 154.05 37.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.553 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 51.7 p-10 -84.0 -177.91 6.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.585 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 310' ' ' ALA . 87.8 mt -118.33 125.09 74.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.651 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 59.1 p30 -93.77 8.39 41.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.665 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . 0.77 ' H ' HG22 ' A' ' 308' ' ' ILE . . . -62.18 141.47 58.17 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.648 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 69.4 m -70.03 149.65 47.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.724 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 74.5 m -61.6 -40.06 93.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -150.47 150.86 31.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.662 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 98.1 mtp -62.95 -40.91 99.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.71 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -91.38 100.65 13.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.474 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 68.1 p -67.21 -12.81 61.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.55 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 73.2 m -63.87 -38.97 93.05 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . 0.462 ' CB ' ' CD ' ' A' ' 319' ' ' PRO . 8.6 mt-10 -54.31 -63.61 2.6 Favored Pre-proline 0 C--N 1.332 -0.188 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.462 ' CD ' ' CB ' ' A' ' 318' ' ' GLU . 28.2 Cg_endo -61.6 -28.29 82.65 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.338 2.025 . . . . 0.0 112.428 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -61.38 -35.68 78.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.517 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -48.78 -26.78 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.23 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -72.11 124.76 25.66 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.201 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.45 -39.27 88.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.854 179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -59.75 -36.79 77.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.729 -179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.2 -10.25 30.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.673 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -49.0 128.43 16.02 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.892 0.377 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -112.82 126.09 55.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.274 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.488 ' CG1' HD21 ' A' ' 335' ' ' LEU . 61.6 t -61.71 -39.39 83.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.499 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.613 ' SD ' HD21 ' A' ' 359' ' ' LEU . 25.0 mmt -64.08 -9.99 19.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.637 -179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -67.58 -28.18 67.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.332 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -119.58 84.51 30.29 Favored Pre-proline 0 C--O 1.237 0.442 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -55.3 -33.05 83.66 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.827 2.351 . . . . 0.0 111.806 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -61.08 -41.38 96.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.067 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . 0.412 ' O ' HG23 ' A' ' 338' ' ' VAL . 73.6 t80 -61.8 -45.44 93.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.027 0.441 . . . . 0.0 109.921 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.488 HD21 ' CG1' ' A' ' 328' ' ' VAL . 86.6 mt -62.59 -40.04 95.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.82 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.51 -41.52 98.89 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.602 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 94.1 p -62.67 -35.33 79.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.658 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 334' ' ' PHE . 74.5 t -62.82 -45.42 98.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.097 0.475 . . . . 0.0 110.167 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . 0.594 HD22 ' HB1' ' B' ' 69' ' ' ALA . 53.7 mt -62.26 -41.75 98.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.02 -39.18 93.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.583 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -59.64 -37.85 79.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.094 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.7 mt -59.29 142.37 86.46 Favored Pre-proline 0 CA--C 1.539 0.528 0 C-N-CA 120.264 -0.574 . . . . 0.0 111.182 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.65 136.96 31.86 Favored 'Trans proline' 0 N--CA 1.492 1.4 0 C-N-CA 121.995 1.797 . . . . 0.0 112.332 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.03 2.88 87.76 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.03 126.39 69.42 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.368 -179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -130.92 148.59 70.83 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.12 -18.77 51.39 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 122.539 2.16 . . . . 0.0 112.137 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 49.5 p30 -78.72 -0.17 29.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.804 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 27.3 m-20 -73.88 135.93 43.37 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 121.056 0.455 . . . . 0.0 110.288 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.4 mp0 -64.89 -37.82 88.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.468 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.62 97.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.816 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -63.53 -43.99 98.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.773 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -60.17 -46.88 88.19 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.501 -179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -64.71 -38.73 91.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.6 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.59 -42.69 97.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.649 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.56 -39.54 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.714 -0.395 . . . . 0.0 110.68 179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.19 -43.98 97.79 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 88.9 p -66.98 -39.16 87.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.922 0.391 . . . . 0.0 110.75 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.613 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.1 tp -62.98 -44.35 96.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.426 -179.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.27 94.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 74.5 m -62.5 -41.65 98.97 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.739 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -62.64 -40.62 97.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.713 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.65 -40.83 96.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.665 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 69.0 p -81.12 159.88 24.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.552 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.77 -20.7 65.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.323 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.47 -40.15 85.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.375 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -61.21 -41.72 99.57 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -63.14 -40.47 97.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.95 0.405 . . . . 0.0 110.606 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.54 -39.86 94.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.434 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 53.1 t0 52.54 46.51 26.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.607 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -66.18 129.63 40.48 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.441 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 65.9 tttp -63.75 131.39 47.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.427 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 41.3 mp0 -76.48 143.61 40.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -129.84 141.95 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.627 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -93.71 103.3 15.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.46 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 68.4 mttm 44.85 -125.0 1.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.538 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 24.8 ptp . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 17.3 mtmm -61.77 -39.4 91.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.591 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.47 -42.87 99.43 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.31 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.04 -41.22 97.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.571 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.3 95.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.707 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.32 -44.51 95.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.329 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -63.92 -43.26 96.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.839 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -60.82 -45.39 94.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.869 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.05 -42.12 98.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.725 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.18 -42.72 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.18 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -62.15 -39.9 94.16 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.45 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -62.06 -42.74 99.51 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.534 -0.466 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -66.43 -41.37 89.29 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.836 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.458 ' HE1' ' HB3' ' B' ' 68' ' ' ALA . 86.3 t80 -60.95 -50.02 75.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 62.5 m80 -70.0 -35.17 74.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.982 -0.553 . . . . 0.0 112.005 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.28 -39.25 92.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.977 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.705 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 78.3 mt -69.89 -41.07 75.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.283 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 37' ' ' TYR . 73.8 p -75.45 -29.81 59.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.315 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -98.23 -58.92 1.86 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 106.387 -1.709 . . . . 0.0 106.387 -173.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.54 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 98.88 -162.25 20.27 Favored Glycine 0 N--CA 1.472 1.056 0 N-CA-C 103.185 -3.966 . . . . 0.0 103.185 170.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -99.42 -13.14 19.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.822 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.85 -17.99 46.82 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -73.15 144.6 46.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.867 0.365 . . . . 0.0 110.533 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.94 -39.38 94.44 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.472 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -117.41 137.04 52.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.276 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.1 t -134.95 130.79 36.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.174 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 74.0 p -87.79 -0.16 56.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.919 -179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -95.45 116.27 28.58 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.21 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -59.54 -41.62 90.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.361 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -89.53 58.81 4.5 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 120.285 -0.566 . . . . 0.0 110.623 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 49.7 t -155.34 142.47 19.27 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.413 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.705 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -68.71 172.24 6.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.085 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 13.4 m 63.71 20.51 12.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.352 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.76 151.24 45.2 Favored Pre-proline 0 CA--C 1.533 0.323 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.408 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.19 -20.78 55.98 Favored 'Trans proline' 0 N--CA 1.496 1.664 0 C-N-CA 122.738 2.292 . . . . 0.0 112.295 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 60.5 p -94.04 16.68 13.93 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 177.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -148.82 125.61 11.18 Favored 'General case' 0 CA--C 1.454 -2.736 0 CA-C-O 122.275 1.036 . . . . 0.0 108.28 -172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -108.64 150.9 26.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 114.509 -1.223 . . . . 0.0 110.206 -177.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 45.7 mmm-85 -57.56 136.22 56.73 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -130.28 160.37 34.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.877 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -78.18 178.46 7.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.231 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.69 -42.21 98.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.799 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -63.05 -49.19 75.55 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.408 0.623 . . . . 0.0 110.622 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.73 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.285 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HE1' ' B' ' 37' ' ' TYR . . . -64.14 -38.41 90.94 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 108.849 -0.796 . . . . 0.0 108.849 -178.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.594 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.76 -41.93 92.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.554 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 44.9 mm -63.28 -44.44 99.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.037 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm -62.45 -40.14 95.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.899 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.2 -41.99 97.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.122 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.88 -45.04 91.18 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.437 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.608 ' O ' HG22 ' B' ' 78' ' ' ILE . 79.1 mm-40 -65.27 -39.77 93.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.939 -179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.579 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -62.11 -43.19 99.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.546 0.688 . . . . 0.0 110.547 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -62.25 -45.79 91.74 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.099 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -57.86 -48.37 80.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.608 HG22 ' O ' ' B' ' 74' ' ' GLU . 11.7 tt -79.04 -9.85 12.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.594 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 54.42 36.84 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.316 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.456 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.59 143.28 25.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.05 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -67.22 142.74 56.85 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.529 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.435 HD12 ' H ' ' B' ' 82' ' ' LEU . 1.9 mp -79.14 151.77 31.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.731 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.8 t -60.53 -46.75 89.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.266 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -69.88 151.98 96.12 Favored Pre-proline 0 C--N 1.324 -0.514 0 C-N-CA 120.262 -0.575 . . . . 0.0 110.764 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_exo -50.88 139.31 41.07 Favored 'Trans proline' 0 N--CA 1.5 1.866 0 C-N-CA 122.154 1.902 . . . . 0.0 112.229 178.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 -132.8 73.01 76.61 Favored Pre-proline 0 C--N 1.333 -0.131 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.508 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo . . . . . 0 C--N 1.307 -1.643 0 C-N-CA 122.807 2.338 . . . . 0.0 112.132 179.77 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . 0.502 ' N ' HD12 ' A' ' 308' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.52 -39.43 90.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.606 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -61.72 -40.64 95.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.681 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . 0.502 HD12 ' N ' ' A' ' 305' ' ' SER . 85.4 mt -62.65 -45.66 98.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.762 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.79 -39.77 90.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.573 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 56.43 44.95 23.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.676 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 68.0 m -123.26 145.7 48.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.631 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 41.5 t -64.09 142.17 58.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.445 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -60.83 -40.94 94.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.678 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 24.5 mmt -62.37 -39.56 93.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.562 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . 0.434 ' O ' ' CB ' ' A' ' 316' ' ' THR . 98.7 m-20 -63.83 147.87 50.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.514 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.434 ' CB ' ' O ' ' A' ' 315' ' ' ASP . 0.2 OUTLIER 75.81 134.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.674 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 62.7 m 51.87 41.98 29.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.747 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . 0.479 ' N ' ' HD2' ' A' ' 319' ' ' PRO . 3.0 mm-40 -60.58 -60.31 11.07 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 318' ' ' GLU . 27.3 Cg_endo -62.85 -23.82 74.33 Favored 'Trans proline' 0 C--N 1.31 -1.493 0 C-N-CA 122.634 2.223 . . . . 0.0 112.008 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -94.34 129.59 40.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.293 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -136.41 162.54 32.78 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.797 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -79.52 141.55 36.58 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.935 0.397 . . . . 0.0 110.495 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.97 -33.64 74.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.059 0.457 . . . . 0.0 110.673 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -64.01 -17.14 63.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 -179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -73.12 -9.89 59.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.595 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . 0.688 ' CE2' ' HB3' ' B' ' 25' ' ' LYS . 10.6 p90 -39.83 136.39 1.08 Allowed 'General case' 0 C--O 1.231 0.118 0 CA-C-O 121.071 0.463 . . . . 0.0 110.52 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -88.09 118.35 27.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.514 ' CG1' HD21 ' A' ' 335' ' ' LEU . 78.3 t -59.98 -38.93 78.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.457 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.2 mmt -64.75 -3.79 3.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.69 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -67.61 -28.73 67.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.423 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -123.22 82.42 51.87 Favored Pre-proline 0 C--O 1.236 0.371 0 CA-C-O 121.154 0.502 . . . . 0.0 110.975 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.5 -35.09 91.63 Favored 'Trans proline' 0 N--CA 1.493 1.483 0 C-N-CA 122.842 2.361 . . . . 0.0 111.374 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -62.57 -39.2 92.93 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.346 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -62.15 -45.2 94.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.023 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.514 HD21 ' CG1' ' A' ' 328' ' ' VAL . 82.5 mt -61.62 -39.81 92.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.686 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -61.85 -40.77 96.48 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.373 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 71.3 m -60.9 -39.61 89.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.003 0.43 . . . . 0.0 110.499 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.25 -45.16 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.228 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 339' ' ' LEU . 89.3 mt -61.07 -40.23 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.227 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.95 -38.86 92.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.44 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -60.07 -39.25 85.38 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.194 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.415 HD22 ' CD2' ' B' ' 37' ' ' TYR . 96.7 mt -56.87 135.18 79.4 Favored Pre-proline 0 CA--C 1.536 0.425 0 C-N-CA 120.441 -0.503 . . . . 0.0 110.972 -178.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -71.0 137.82 32.62 Favored 'Trans proline' 0 N--CA 1.491 1.362 0 C-N-CA 122.256 1.971 . . . . 0.0 112.702 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.35 1.76 86.52 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 65.6 t -112.99 123.73 68.92 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.241 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -135.37 152.62 76.96 Favored Pre-proline 0 N--CA 1.449 -0.484 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.839 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -60.0 -25.5 79.81 Favored 'Trans proline' 0 N--CA 1.497 1.678 0 C-N-CA 122.63 2.22 . . . . 0.0 112.079 179.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -71.0 -15.41 62.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.777 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.424 ' HB2' HD13 ' A' ' 352' ' ' ILE . 87.3 m-20 -66.01 134.66 53.36 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 121.004 0.43 . . . . 0.0 110.537 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.34 87.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.43 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.97 -44.58 97.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.697 -179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.5 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.21 -43.99 97.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 18.2 tpp180 -61.64 -45.66 93.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.439 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -64.05 -38.29 90.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.519 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.48 97.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.797 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.2 mmt -65.58 -38.98 91.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.436 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.41 -44.05 98.19 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 71.7 m -65.64 -41.11 92.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.96 0.41 . . . . 0.0 110.574 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.457 HD21 ' SD ' ' A' ' 329' ' ' MET . 61.2 tp -62.03 -44.94 95.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.39 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.77 97.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.7 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 36.3 t 55.5 -178.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . 0.418 ' HB3' HG23 ' A' ' 364' ' ' THR . 97.9 mt-30 -64.72 -39.99 94.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . 56.9 8.78 0.53 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.572 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . 0.418 HG23 ' HB3' ' A' ' 362' ' ' GLN . 59.7 p -65.29 -14.54 60.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.706 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.88 -38.09 84.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 52.63 42.34 31.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.543 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -158.04 -171.11 23.56 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.864 -0.895 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.64 147.23 53.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.849 0.357 . . . . 0.0 110.535 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -59.91 -42.93 94.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.362 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -60.2 129.3 41.03 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.933 0.397 . . . . 0.0 110.546 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -68.75 125.62 27.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.376 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm 47.61 31.43 2.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 49.72 35.75 9.55 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.655 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 51.28 37.76 19.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.796 -178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 47.14 -124.27 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.523 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.34 -39.77 94.21 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.562 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.458 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.3 mmm . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.688 ' HB3' ' CE2' ' A' ' 326' ' ' TYR . 1.0 OUTLIER -58.26 -45.02 88.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.628 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 81.6 mtp180 -62.99 -42.32 99.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.973 0.416 . . . . 0.0 110.372 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.76 98.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.666 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.59 -39.88 92.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.537 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.84 -42.68 98.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.42 -44.85 96.4 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.66 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -60.62 -45.76 92.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.378 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.406 HD12 ' HE1' ' B' ' 76' ' ' TYR . 90.2 mt -61.74 -44.99 95.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.441 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.12 -44.48 99.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.453 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.63 -40.86 96.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.327 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -62.83 -41.63 99.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -64.77 -42.66 94.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.705 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.415 ' CD2' HD22 ' A' ' 342' ' ' LEU . 86.7 t80 -60.77 -49.28 78.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.717 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . 0.403 ' O ' ' HB2' ' B' ' 42' ' ' GLU . 41.1 m170 -67.79 -33.72 75.37 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -65.12 -37.9 88.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.469 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.595 HD11 ' CD1' ' B' ' 75' ' ' LEU . 88.3 mt -69.55 -38.53 77.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.23 178.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 80.6 p -87.82 -11.19 48.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.267 -179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.463 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 71.6 mm-40 -121.68 -67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 106.602 -1.629 . . . . 0.0 106.602 -173.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.708 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 93.33 -152.58 20.96 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 106.353 -2.699 . . . . 0.0 106.353 174.33 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 3.9 p -99.34 -13.47 19.61 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.715 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.02 -18.16 42.01 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -81.05 142.89 32.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.482 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.07 -38.69 87.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.22 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.6 134.62 42.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.451 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.8 t -145.69 135.83 23.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.344 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 76.0 p -92.73 2.73 56.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 -104.93 114.23 28.31 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.494 ' HG2' ' H ' ' B' ' 52' ' ' GLU . 0.1 OUTLIER -59.95 -38.65 83.07 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.229 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -92.46 59.45 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.686 -0.406 . . . . 0.0 110.371 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 50.9 t -150.53 134.84 17.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.841 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.708 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -58.69 159.71 6.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.928 0.394 . . . . 0.0 110.205 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.3 p 76.31 -21.17 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.047 -179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' B' ' 55' ' ' ALA . 47.3 t -65.51 127.47 93.01 Favored Pre-proline 0 N--CA 1.451 -0.414 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.394 -179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_exo -50.13 -36.12 44.6 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.448 2.099 . . . . 0.0 112.295 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 72.6 p -76.91 -17.38 58.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.918 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -91.37 132.03 36.46 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 115.007 1.484 . . . . 0.0 115.007 174.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.4 mp -107.94 145.95 33.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.26 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 47.1 mmm-85 -61.22 143.87 54.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.057 0.456 . . . . 0.0 110.309 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 24.9 ptp -147.9 171.36 15.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.857 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . 0.403 ' HB3' ' ND2' ' B' ' 66' ' ' ASN . 1.4 m-20 -80.68 169.3 17.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -35.39 78.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.531 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.403 ' ND2' ' HB3' ' B' ' 64' ' ' ASP . 1.5 p30 -64.39 -49.36 71.89 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.238 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -40.44 95.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.206 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.97 96.18 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.418 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.32 95.0 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.2 mp -60.95 -47.25 94.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.141 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -64.06 -40.09 95.51 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.256 -179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.62 97.91 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.135 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.5 tp -63.28 -44.66 94.43 Favored 'General case' 0 C--O 1.232 0.157 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.421 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -65.33 -40.01 93.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.495 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.595 ' CD1' HD11 ' B' ' 40' ' ' LEU . 23.3 mt -60.36 -42.34 95.58 Favored 'General case' 0 N--CA 1.462 0.14 0 O-C-N 123.248 0.343 . . . . 0.0 110.658 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.492 ' OH ' HG21 ' A' ' 328' ' ' VAL . 88.4 t80 -61.1 -45.12 96.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.197 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 21.1 tttp -57.24 -46.22 83.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.756 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 23.8 pt -82.39 -2.6 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.769 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.3 t30 57.43 38.94 28.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.5 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.37 142.62 21.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.091 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -70.19 145.3 51.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.58 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.17 150.34 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.457 ' SG ' ' O ' ' B' ' 83' ' ' CYS . 40.8 t -85.3 60.13 6.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.492 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -134.75 75.47 62.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.303 179.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -75.51 154.77 40.39 Favored 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 122.692 2.261 . . . . 0.0 112.2 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.485 ' N ' ' HD2' ' B' ' 87' ' ' PRO . 0.8 OUTLIER -54.4 -60.63 7.16 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.526 179.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.485 ' HD2' ' N ' ' B' ' 86' ' ' HIS . 23.9 Cg_endo . . . . . 0 N--CA 1.493 1.484 0 C-N-CA 122.729 2.286 . . . . 0.0 112.09 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 28.7 p . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.068 -0.715 . . . . 0.0 109.068 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.86 -41.29 97.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.644 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.69 -44.62 95.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.26 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 40.2 pt -74.59 -19.8 16.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.992 0.425 . . . . 0.0 110.704 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -91.03 -3.79 56.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.366 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 53.9 29.65 10.25 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.864 0.364 . . . . 0.0 110.653 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 1.3 t 51.37 27.32 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.602 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 1.3 p 54.16 16.13 1.09 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.708 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -145.21 153.08 40.95 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.573 0.582 . . . . 0.0 112.573 175.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.3 mtt -132.41 148.47 52.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.568 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.72 -40.47 95.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.645 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 13.6 t -150.58 151.1 32.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.492 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 85.0 p -82.93 -12.78 57.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.034 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -130.37 65.49 76.0 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.591 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.439 ' O ' ' OD2' ' A' ' 325' ' ' ASP . 43.8 Cg_endo -69.1 -33.61 18.68 Favored 'Trans proline' 0 C--N 1.31 -1.465 0 C-N-CA 122.311 2.008 . . . . 0.0 112.261 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -62.44 -44.23 96.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -66.7 -39.77 88.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.582 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.433 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 88.7 tt0 -86.68 99.83 12.03 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.43 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -69.73 -21.94 63.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.626 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.52 -21.15 63.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.695 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 319' ' ' PRO . 49.5 p-10 -79.08 2.3 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.668 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -58.97 128.0 35.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.464 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -117.01 124.1 48.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.517 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.462 HG12 HD21 ' A' ' 335' ' ' LEU . 92.6 t -66.49 -39.85 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.5 mmt -60.3 -35.04 74.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.716 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -71.38 2.49 4.81 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.571 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -128.48 76.83 78.03 Favored Pre-proline 0 C--O 1.234 0.24 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.577 179.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -57.43 -31.9 92.54 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.645 2.23 . . . . 0.0 111.92 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.4 -43.57 98.65 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.638 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -66.36 -42.96 87.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.097 0.475 . . . . 0.0 110.217 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.462 HD21 HG12 ' A' ' 328' ' ' VAL . 84.9 mt -62.54 -39.49 93.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.595 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -61.47 -43.04 99.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.266 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 91.0 p -63.4 -37.9 89.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.914 0.388 . . . . 0.0 110.596 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.02 -45.46 96.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.676 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.92 -39.42 94.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.45 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.57 -39.84 94.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.567 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -61.02 -41.5 96.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.674 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.6 mt -45.28 107.64 0.67 Allowed Pre-proline 0 CA--C 1.536 0.416 0 C-N-CA 120.551 -0.46 . . . . 0.0 110.39 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -56.59 140.57 90.25 Favored 'Trans proline' 0 N--CA 1.498 1.774 0 C-N-CA 121.788 1.659 . . . . 0.0 112.095 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.79 2.64 90.61 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 66.4 t -125.43 129.6 72.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . 0.499 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 92.8 m-20 -125.77 148.51 62.51 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.811 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.51 -19.94 54.42 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.446 2.097 . . . . 0.0 112.092 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.61 -12.97 60.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.703 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.499 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 98.6 m-20 -65.43 141.24 58.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.006 0.432 . . . . 0.0 110.358 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.6 mp0 -64.32 -37.73 88.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.505 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.64 -43.49 97.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.718 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.575 HD13 HD11 ' B' ' 70' ' ' ILE . 39.5 mm -64.68 -44.95 96.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.934 0.397 . . . . 0.0 110.551 179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.21 -46.07 91.96 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.577 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.72 -39.84 95.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.588 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.37 98.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.804 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 38.2 mmt -64.7 -39.37 93.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.413 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.32 -43.97 98.33 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.6 m -64.99 -40.24 94.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.84 0.352 . . . . 0.0 110.594 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.61 -44.34 97.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.218 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.89 95.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.702 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 70.1 m -69.13 145.28 53.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.476 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -62.44 -41.62 98.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.649 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -65.07 140.82 58.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.455 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 77.5 p -81.5 -12.42 58.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.557 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -86.55 149.06 25.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.583 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.703 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -75.82 168.16 54.77 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 28.8 mmtp -128.31 142.8 51.03 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -64.07 143.3 57.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.631 -175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 372' ' ' LYS . 59.4 p30 -142.35 -171.67 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.531 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.18 -39.52 90.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.467 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.436 ' O ' ' OD1' ' A' ' 370' ' ' ASP . 64.7 mttp -114.12 109.44 18.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 179.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . 0.415 ' O ' ' OD1' ' A' ' 370' ' ' ASP . 75.2 mm-40 51.67 -131.93 2.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.615 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -126.36 141.4 51.91 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.389 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 61.0 t0 -78.14 106.05 9.77 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 172.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.95 -43.45 98.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.396 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 25.8 pttm . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.003 -0.998 . . . . 0.0 110.469 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 mtmm -61.92 -39.99 93.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.611 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -62.56 -42.41 99.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.276 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.1 -40.96 99.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.379 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.71 -40.11 93.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.502 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -43.76 97.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.381 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -63.28 -44.4 95.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.919 0.39 . . . . 0.0 110.685 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -60.79 -45.0 96.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.748 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.25 -48.09 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 90.8 mt -59.82 -44.53 94.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.925 0.393 . . . . 0.0 110.143 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -61.99 -40.22 94.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.219 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -61.27 -42.02 97.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.77 -179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -66.22 -42.6 88.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.942 0.401 . . . . 0.0 110.558 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.521 ' CZ ' HG21 ' B' ' 41' ' ' THR . 89.1 t80 -62.18 -47.99 82.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.642 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -60.04 -45.69 91.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.325 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.488 ' OE1' HD23 ' B' ' 82' ' ' LEU . 63.1 tt0 -63.56 -38.92 92.96 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.257 0.465 . . . . 0.0 112.257 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' B' ' 75' ' ' LEU . 82.5 mt -67.53 -39.92 85.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.893 0.378 . . . . 0.0 110.994 177.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.521 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 75.7 p -80.33 -11.36 59.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.631 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -127.5 -80.98 0.6 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.801 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.653 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 135.8 -151.76 20.77 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 175.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 2.8 p -98.58 -12.77 20.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.816 0.341 . . . . 0.0 110.757 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.38 -17.81 49.65 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -72.38 142.28 48.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.927 0.394 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.13 -39.54 92.9 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.471 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -121.72 131.51 54.12 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.284 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.2 t -126.43 127.74 45.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.019 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -100.16 10.22 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.693 -179.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.587 ' ND2' ' H ' ' B' ' 84' ' ' ASP . 28.3 t-20 -97.31 119.22 35.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.382 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -60.46 -39.16 86.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.538 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -93.51 59.39 2.92 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.391 -0.524 . . . . 0.0 110.882 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 17.8 t -158.01 139.51 13.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.326 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -67.04 171.94 5.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.247 179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 9.8 m 63.69 19.75 11.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.066 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 40.9 t -106.73 131.38 21.75 Favored Pre-proline 0 CA--C 1.538 0.501 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.693 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -47.88 -36.49 26.94 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 C-N-CA 121.951 1.767 . . . . 0.0 112.405 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.29 -19.09 54.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 85.0 t80 -87.81 130.98 34.69 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 115.519 1.674 . . . . 0.0 115.519 173.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.0 tp -99.38 132.56 44.62 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.192 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -57.67 140.51 51.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.189 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -130.9 162.02 30.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.839 -179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.09 171.91 12.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.914 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -62.62 -42.45 99.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.502 ' H ' ' ND2' ' B' ' 66' ' ' ASN . 0.3 OUTLIER -64.38 -46.56 82.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.107 0.48 . . . . 0.0 110.289 179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.78 -38.23 90.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.318 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.58 -38.49 89.65 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.91 95.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.588 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.9 mm -66.18 -43.15 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -62.57 -39.96 95.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.789 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.28 -42.15 98.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.244 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.26 -44.23 95.73 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 120.281 -0.567 . . . . 0.0 110.438 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -40.64 97.64 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.44 ' CD1' HD11 ' B' ' 40' ' ' LEU . 32.4 mt -64.38 -32.91 74.72 Favored 'General case' 0 N--CA 1.465 0.307 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -65.75 -41.89 91.58 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.04 175.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -42.52 84.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.047 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.6 pt -92.21 -6.12 10.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.897 0.38 . . . . 0.0 110.828 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.4 t30 52.88 39.15 28.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.096 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.2 142.73 36.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.317 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -73.34 145.23 46.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.487 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.612 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp -96.61 126.04 41.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 4.1 t 38.9 84.11 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.39 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.587 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 98.9 m-20 -66.25 148.93 98.29 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.814 -179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.68 151.94 74.56 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 122.314 2.009 . . . . 0.0 112.117 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -132.73 74.19 75.03 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.428 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo . . . . . 0 C--N 1.307 -1.651 0 C-N-CA 122.712 2.274 . . . . 0.0 112.226 179.919 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.5 -41.44 97.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.579 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -88.73 105.73 17.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 86.4 mt -116.17 124.01 71.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.529 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 53.6 p-10 -83.23 -179.46 7.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -60.96 141.84 56.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.464 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 47.9 t -146.83 144.52 29.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.626 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 45.0 t -149.37 143.61 25.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.567 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.01 97.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.775 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 79.6 mtm -126.93 144.6 50.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.528 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.65 148.16 52.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.531 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 96.9 m -119.19 128.78 54.54 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 46.9 t -152.05 147.74 26.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.665 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 51.05 57.86 17.02 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.491 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.38 151.09 71.19 Favored 'Trans proline' 0 C--N 1.307 -1.608 0 C-N-CA 122.829 2.353 . . . . 0.0 112.124 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . 0.775 ' HB1' ' OE1' ' A' ' 322' ' ' GLU . . . -63.78 137.97 58.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.532 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -64.25 -19.83 65.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.79 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.775 ' OE1' ' HB1' ' A' ' 320' ' ' ALA . 49.1 mp0 -68.96 143.73 54.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.0 -10.84 59.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.424 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -60.32 -20.71 60.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.468 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.742 ' OD2' ' HB3' ' A' ' 320' ' ' ALA . 98.6 m-20 -65.7 -15.78 63.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.544 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -56.14 127.97 33.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.479 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -115.99 126.55 53.99 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.674 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.459 ' CG1' HD21 ' A' ' 335' ' ' LEU . 85.4 t -69.71 -39.29 77.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.391 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.684 ' SD ' HD21 ' A' ' 359' ' ' LEU . 23.5 mmt -60.47 -34.66 74.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.463 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.36 -0.38 8.07 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.545 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -125.69 69.27 63.28 Favored Pre-proline 0 C--O 1.237 0.424 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.28 -29.47 73.03 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 122.525 2.15 . . . . 0.0 112.123 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -61.73 -45.54 93.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.298 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 75.3 t80 -64.9 -43.84 91.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.309 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.459 HD21 ' CG1' ' A' ' 328' ' ' VAL . 83.3 mt -61.72 -39.97 93.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.658 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . 0.415 HE21 ' HB3' ' A' ' 347' ' ' PRO . 63.6 tt0 -61.37 -42.29 98.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.409 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.5 t -61.14 -43.41 98.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.567 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 78.3 t -62.46 -44.74 99.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.151 0.5 . . . . 0.0 110.399 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 90.0 mt -61.34 -41.65 97.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.281 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.44 -37.08 86.29 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.281 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -58.8 -38.84 79.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.279 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.1 mt -57.58 144.34 72.83 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.989 -179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.69 135.31 30.3 Favored 'Trans proline' 0 N--CA 1.493 1.496 0 C-N-CA 122.196 1.931 . . . . 0.0 112.379 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 76.45 7.26 85.16 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 46.3 t -113.44 124.66 70.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.368 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -135.95 149.2 67.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.972 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . 0.415 ' HB3' HE21 ' A' ' 336' ' ' GLN . 36.4 Cg_endo -65.53 -18.04 58.58 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.605 2.204 . . . . 0.0 112.083 179.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -79.68 -9.91 59.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.684 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -71.16 138.07 49.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.993 0.425 . . . . 0.0 110.703 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.08 -37.23 85.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.587 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.89 91.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.889 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.57 -43.61 96.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.674 179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -63.51 -41.67 98.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.787 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -39.3 93.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.619 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . . . . . . . . . . . -60.47 -42.42 96.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 39.1 mmt -64.71 -39.22 93.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.478 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.61 -44.33 97.7 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 97.1 p -68.79 -36.67 78.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 0.0 110.641 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.684 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.7 tp -58.55 -45.14 89.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.335 -179.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -90.69 -7.56 52.27 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.278 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 29.8 m 49.88 45.36 25.03 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.517 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -60.91 -42.62 98.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.513 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -152.75 146.34 25.02 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.456 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 82.8 p -111.83 -8.14 14.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.554 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.76 -44.35 97.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.623 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -82.62 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.721 -179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 172.42 -175.35 45.6 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 68.5 mttm 44.89 -119.75 0.77 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.323 . . . . 0.0 110.527 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -70.59 144.3 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.488 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . 0.436 ' O ' ' OE1' ' A' ' 374' ' ' GLU . 67.4 t0 -87.51 109.12 19.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.664 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.46 -37.73 84.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.569 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -64.74 136.04 56.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.981 0.419 . . . . 0.0 110.351 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 79.3 mm-40 52.45 28.59 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.447 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 370' ' ' ASP . 51.8 tp10 -71.64 133.66 45.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.439 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.05 103.67 15.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -62.29 -39.66 93.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.542 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 51.1 mtpt . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.424 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -63.27 -38.69 92.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.197 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -60.02 -43.5 95.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.538 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.92 -42.12 97.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.975 0.417 . . . . 0.0 110.522 179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.05 -40.63 98.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.547 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.35 -41.83 97.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.335 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -63.15 -43.79 97.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.709 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 75.0 m-70 -61.54 -42.51 98.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.737 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.594 HD12 ' HE1' ' B' ' 76' ' ' TYR . 89.7 mt -62.35 -45.87 91.22 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.697 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 88.6 mt -62.55 -43.98 98.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.371 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.93 -43.28 98.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.421 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.36 -42.07 98.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -63.95 -41.33 97.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.824 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.401 ' CD2' HD22 ' A' ' 342' ' ' LEU . 89.8 t80 -60.49 -48.46 81.65 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.575 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -62.62 -41.87 99.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -62.38 -37.35 85.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.4 . . . . 0.0 111.628 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.55 -39.32 88.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.131 177.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 56.1 p -88.73 -10.19 49.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.062 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -123.5 -71.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.881 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.646 ' HA3' ' HB3' ' B' ' 55' ' ' ALA . . . 115.91 -141.42 16.87 Favored Glycine 0 N--CA 1.466 0.698 0 N-CA-C 105.6 -3.0 . . . . 0.0 105.6 172.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.0 p -99.59 -10.61 21.82 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.95 -17.59 56.26 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -67.67 144.19 55.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.899 0.38 . . . . 0.0 110.558 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.2 -39.57 93.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.425 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -131.98 128.32 38.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.491 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -134.7 133.02 39.56 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 89.7 m -103.06 77.57 1.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.667 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -147.17 132.59 18.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -63.78 -39.53 94.47 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.816 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -105.69 64.82 0.7 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.726 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -168.4 138.31 2.47 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.486 179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.646 ' HB3' ' HA3' ' B' ' 43' ' ' GLY . . . -69.16 178.42 2.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.006 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 12.4 m 63.12 15.99 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.179 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 96.6 m -103.14 148.12 35.17 Favored Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.778 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -67.33 -18.23 49.92 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.669 2.246 . . . . 0.0 112.254 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.4 p -101.81 0.3 35.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.806 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -104.96 126.94 52.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.72 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 61.7 tp -104.39 131.49 51.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.036 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -47.6 139.72 6.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.141 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 6.5 mtt -127.79 154.33 45.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.351 -0.841 . . . . 0.0 111.157 -179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.25 173.85 9.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.102 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -61.41 -43.46 98.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.656 179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -65.66 -45.86 81.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.095 0.474 . . . . 0.0 110.531 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.44 -36.52 84.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.243 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.54 -37.02 71.19 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -174.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.46 -41.38 89.58 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.65 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . . . . . . . . . 1.3 mp -63.78 -46.19 95.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.221 179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -64.1 -39.79 94.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.359 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.32 96.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.965 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.01 -43.59 98.52 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.382 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.693 ' O ' HG22 ' B' ' 78' ' ' ILE . 96.5 mt-10 -63.74 -39.3 93.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.426 -179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 46.8 mt -61.91 -40.99 97.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.279 0.562 . . . . 0.0 110.361 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.594 ' HE1' HD12 ' B' ' 32' ' ' LEU . 91.7 t80 -64.35 -47.2 80.26 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.162 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 tttp -59.91 -47.95 83.7 Favored 'General case' 0 C--N 1.334 -0.077 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.693 HG22 ' O ' ' B' ' 74' ' ' GLU . 16.2 tt -80.1 -9.35 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.51 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 62.6 t30 54.25 38.81 30.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.428 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.49 143.75 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -70.73 144.29 50.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.559 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' B' ' 87' ' ' PRO . 6.3 mp -81.57 155.04 25.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.687 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.33 -47.77 84.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.482 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -68.34 148.61 98.22 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.98 155.03 66.21 Favored 'Trans proline' 0 N--CA 1.494 1.547 0 C-N-CA 122.604 2.203 . . . . 0.0 112.408 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 50.7 t60 48.97 64.59 8.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.653 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . 0.528 ' HB3' HD13 ' B' ' 82' ' ' LEU . 59.6 Cg_exo . . . . . 0 C--N 1.306 -1.689 0 C-N-CA 122.795 2.33 . . . . 0.0 112.128 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . 50.26 42.05 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.677 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 56.0 p30 -63.36 -13.49 39.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.521 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 89.7 mt -61.59 -41.95 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.476 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -82.66 108.76 16.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.506 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -150.24 159.28 44.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.607 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 75.5 m -61.03 -40.21 92.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.384 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 1.6 p 66.72 145.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.434 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -65.1 -13.74 58.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.513 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 61.3 tpp -59.4 -36.68 76.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.263 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 53.0 p-10 -60.77 -11.27 7.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.593 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 98.6 m -60.62 -43.98 96.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.487 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 82.7 p -70.29 159.84 33.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.623 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 44.53 69.02 2.7 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.37 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . 0.41 ' O ' ' N ' ' A' ' 321' ' ' LYS . 36.4 Cg_exo -59.54 142.64 99.21 Favored 'Trans proline' 0 N--CA 1.497 1.719 0 C-N-CA 122.905 2.404 . . . . 0.0 112.132 -179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . 39.37 -97.96 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.535 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' A' ' 323' ' ' GLU . 7.0 mmmt 55.76 -174.99 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.486 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 63.92 -74.78 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 110.587 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 321' ' ' LYS . 23.6 pt-20 -66.84 -29.31 69.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.082 0.468 . . . . 0.0 110.672 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.06 -8.6 39.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.49 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 326' ' ' TYR . 66.4 t0 -62.31 -35.33 78.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.314 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 325' ' ' ASP . 33.4 t80 -38.06 130.81 1.15 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 120.808 0.337 . . . . 0.0 110.524 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -109.39 125.92 52.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.596 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.475 HG12 HD11 ' A' ' 335' ' ' LEU . 77.4 t -64.86 -39.93 87.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.493 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.528 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.1 mmt -60.53 -35.03 75.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.389 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -70.68 0.93 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.353 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -126.45 66.03 61.33 Favored Pre-proline 0 C--O 1.237 0.406 0 CA-C-O 121.111 0.482 . . . . 0.0 110.107 179.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -64.32 -29.3 63.45 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.565 2.177 . . . . 0.0 112.222 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.28 -45.95 92.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.117 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -66.03 -42.44 89.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.156 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.475 HD11 HG12 ' A' ' 328' ' ' VAL . 84.1 mt -61.11 -40.31 93.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.741 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -61.35 -42.28 98.43 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.28 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -62.63 -40.78 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.598 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 53.4 t -62.28 -46.23 96.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.22 -41.66 98.59 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.503 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -65.67 -38.67 89.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.512 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.14 -38.14 78.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.3 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 342' ' ' LEU . 97.4 mt -57.26 141.77 76.77 Favored Pre-proline 0 C--N 1.324 -0.525 0 C-N-CA 120.404 -0.519 . . . . 0.0 110.978 -178.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 N--CA 1.492 1.429 0 C-N-CA 122.168 1.912 . . . . 0.0 112.355 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.55 3.48 86.61 Favored Glycine 0 CA--C 1.521 0.446 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 56.1 t -110.78 124.98 68.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -133.44 149.02 71.17 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.98 -17.93 51.67 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.626 2.217 . . . . 0.0 112.163 179.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -80.15 -9.45 59.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.628 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -66.07 137.2 56.9 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.124 0.488 . . . . 0.0 110.282 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 61.5 mp0 -65.58 -37.06 85.56 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.3 -45.3 93.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.845 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.504 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.8 mp -63.43 -44.85 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.698 179.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.27 -47.37 86.31 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.86 -39.9 95.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.53 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.86 -42.7 99.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.947 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.7 mmt -64.34 -39.1 93.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.425 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.18 -43.82 98.59 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 46.7 t -63.89 -43.24 96.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.954 0.407 . . . . 0.0 110.454 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.528 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -61.88 -43.44 98.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.262 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . 0.514 ' HB1' ' OD2' ' A' ' 366' ' ' ASP . . . -61.31 -40.98 96.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.69 -179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 75.2 m -61.91 -40.31 95.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.433 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 24.3 tm0? -62.54 -40.38 96.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.695 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -64.95 143.7 57.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 72.4 p -68.14 -33.85 75.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.59 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -133.07 140.08 47.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.495 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.514 ' OD2' ' HB1' ' A' ' 360' ' ' ALA . 54.7 t0 -122.5 -20.34 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.464 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 79.74 -168.3 52.36 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -125.16 141.77 51.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.12 0.486 . . . . 0.0 110.294 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -62.97 -32.37 73.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.569 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -65.28 -40.93 94.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.683 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -63.87 -40.51 96.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.651 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 27.1 ttpp -63.87 -42.13 97.59 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.594 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -61.41 -41.15 96.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.429 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 58.4 -120.18 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.384 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.22 10.32 39.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.668 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -74.63 147.27 41.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.592 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.1 mttp . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.685 179.762 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 77.2 mtm . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -63.61 -42.85 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.236 0.541 . . . . 0.0 110.186 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -63.01 -40.42 97.71 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.81 -40.98 94.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.501 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.6 96.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.443 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.3 -39.65 91.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.375 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -60.45 -44.35 95.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -61.36 -41.03 96.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.547 -179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' B' ' 32' ' ' LEU . 3.5 mm? -63.39 -50.86 68.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.155 0.503 . . . . 0.0 110.558 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 82.7 mt -60.49 -42.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.275 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.69 -40.58 92.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.264 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -61.81 -41.17 97.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.854 0.359 . . . . 0.0 110.574 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.481 ' CD2' HD21 ' B' ' 82' ' ' LEU . 46.5 m-85 -66.89 -39.68 87.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.504 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 41' ' ' THR . 87.7 t80 -60.96 -48.31 82.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.187 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -62.54 -40.6 97.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.284 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.446 ' OE1' HD23 ' B' ' 82' ' ' LEU . 57.6 tt0 -62.53 -39.75 94.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.378 0.608 . . . . 0.0 111.295 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.515 HD11 ' CD1' ' B' ' 75' ' ' LEU . 96.7 mt -72.73 -38.47 67.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.479 178.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.486 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 72.0 p -85.05 -4.39 59.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.109 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.549 ' O ' ' HB3' ' B' ' 55' ' ' ALA . 1.4 tt0 -145.5 -64.34 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.217 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.3 -132.27 11.18 Favored Glycine 0 N--CA 1.465 0.6 0 N-CA-C 106.869 -2.493 . . . . 0.0 106.869 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 1.8 p -104.94 -14.19 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.898 0.38 . . . . 0.0 110.727 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 85.14 -17.89 30.47 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -89.72 141.22 28.82 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.924 0.393 . . . . 0.0 111.773 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.47 -39.36 87.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.705 -178.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.73 126.88 35.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.535 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 42.2 t -149.12 138.41 21.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 73.7 p -97.38 7.02 47.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -106.74 114.52 28.66 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.13 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -60.62 -39.39 88.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -93.29 59.39 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.583 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 42.3 t -150.22 135.47 17.97 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.976 0.417 . . . . 0.0 110.912 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' B' ' 42' ' ' GLU . . . -55.67 165.27 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 2.0 p 67.17 -4.76 0.79 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.444 177.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . 0.402 ' H ' ' C ' ' B' ' 55' ' ' ALA . 48.5 t -86.15 128.31 58.22 Favored Pre-proline 0 CA--C 1.513 -0.461 0 N-CA-C 105.041 -2.207 . . . . 0.0 105.041 -174.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -50.7 -26.28 16.99 Favored 'Trans proline' 0 N--CA 1.498 1.763 0 C-N-CA 122.344 2.029 . . . . 0.0 112.447 -178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 79.5 p -88.32 9.77 22.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.957 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -135.75 131.62 35.78 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 104.858 -2.275 . . . . 0.0 104.858 -170.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 84.9 mt -109.32 149.51 29.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.135 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 9.1 mmt85 -53.02 141.88 21.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.2 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 77.3 mmm -127.17 159.41 34.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.819 -179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -77.54 171.13 15.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.845 179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.4 -40.22 95.8 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -73.31 -44.5 58.88 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.441 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.13 -43.45 98.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.471 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.72 -39.19 87.71 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.075 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.14 90.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 111.107 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.53 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -64.23 -46.68 92.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.382 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -63.05 -38.8 92.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.205 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.61 -42.13 96.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.103 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.01 -45.43 89.0 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.575 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -66.51 -37.59 85.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.803 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.515 ' CD1' HD11 ' B' ' 40' ' ' LEU . 19.7 mt -66.34 -39.44 89.21 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -60.15 -44.78 94.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.026 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -55.26 -48.26 74.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.803 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 37.8 pt -81.6 -3.37 6.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.659 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 57.8 t30 55.45 40.99 31.37 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.281 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -52.1 140.66 20.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.026 0.441 . . . . 0.0 110.253 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -70.38 144.39 51.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.913 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.481 HD21 ' CD2' ' B' ' 36' ' ' TYR . 82.8 mt -82.93 154.49 24.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.784 179.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.6 t -60.01 -47.24 86.63 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.214 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 47.5 p-10 -69.0 149.16 97.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.482 -179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.73 151.45 74.55 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.56 2.173 . . . . 0.0 112.248 179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -134.22 75.74 64.64 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.449 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo . . . . . 0 C--N 1.306 -1.662 0 C-N-CA 122.809 2.34 . . . . 0.0 112.073 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . 0.594 ' O ' ' HB3' ' A' ' 306' ' ' ALA . 18.1 t . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . 0.647 ' O ' HG23 ' A' ' 308' ' ' ILE . . . 75.01 -61.15 0.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.635 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 55.2 t0 49.96 46.0 24.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.63 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . 0.647 HG23 ' O ' ' A' ' 306' ' ' ALA . 44.2 pt -128.52 156.93 41.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.746 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -90.02 105.25 17.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.624 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -64.95 145.35 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.469 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 45.5 t -146.27 139.66 25.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.656 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 48.0 t -151.27 146.91 26.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.586 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -62.29 144.28 55.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.666 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 60.2 ttm -97.32 127.85 43.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.443 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . 0.419 ' OD1' ' OG ' ' A' ' 317' ' ' SER . 68.1 t0 -92.48 108.59 20.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.7 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 66.6 p -66.82 -28.61 68.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . 0.419 ' OG ' ' OD1' ' A' ' 315' ' ' ASP . 82.7 p -71.3 161.3 31.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.378 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -132.45 74.14 75.95 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.832 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -56.39 141.53 89.35 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.661 2.241 . . . . 0.0 111.877 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -121.75 128.97 52.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.454 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' A' ' 323' ' ' GLU . 63.6 mttp -60.8 -41.95 96.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.509 . . . . 0.0 109.653 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 73.28 -36.67 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.425 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.534 ' O ' ' NZ ' ' B' ' 25' ' ' LYS . 95.9 mt-10 -65.61 -28.13 68.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.475 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.02 -22.73 64.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.624 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -64.98 -14.74 61.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -53.78 128.42 29.67 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.402 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -120.6 122.67 41.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.447 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 86.2 t -64.01 -39.86 86.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.415 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 22.3 mmt -60.72 -35.34 76.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.682 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -72.1 6.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.637 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 58.6 m-20 -130.7 75.32 79.0 Favored Pre-proline 0 C--O 1.235 0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.724 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -56.88 -34.36 96.85 Favored 'Trans proline' 0 C--N 1.308 -1.604 0 C-N-CA 122.794 2.33 . . . . 0.0 111.969 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.33 -44.41 95.51 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.795 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -64.26 -45.69 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 85.1 mt -63.85 -39.77 94.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.771 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -60.8 -42.4 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.478 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 46.9 t -60.66 -43.65 97.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.88 -45.34 97.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.399 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 94.4 mt -61.64 -38.98 89.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -63.27 -39.54 94.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.472 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.08 -41.52 96.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.53 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 7.5 mp -47.99 110.88 1.52 Allowed Pre-proline 0 N--CA 1.447 -0.612 0 C-N-CA 120.646 -0.422 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.3 137.64 71.59 Favored 'Trans proline' 0 N--CA 1.494 1.508 0 C-N-CA 122.275 1.983 . . . . 0.0 112.212 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.406 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 81.72 -0.22 88.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' B' ' 66' ' ' ASN . 58.2 t -121.93 125.95 73.87 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -130.56 148.69 71.02 Favored Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.955 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -65.88 -21.47 57.4 Favored 'Trans proline' 0 N--CA 1.494 1.533 0 C-N-CA 122.727 2.284 . . . . 0.0 112.21 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -71.65 -15.28 62.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.577 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.14 140.65 58.22 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.48 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.9 pt-20 -65.2 -30.49 71.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -61.73 -43.15 99.41 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.328 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.593 HD13 HD11 ' B' ' 70' ' ' ILE . 43.2 mm -65.67 -44.32 93.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.398 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -60.88 -45.94 92.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.771 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -63.58 -42.19 98.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.819 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.62 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.71 -43.09 99.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.778 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 35.9 mmt -64.08 -39.2 93.55 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.546 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.36 -43.76 98.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.101 -0.799 . . . . 0.0 111.101 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 94.8 p -67.51 -35.67 79.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.78 0.324 . . . . 0.0 110.508 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.08 -45.02 91.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.899 -179.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -91.44 -6.21 53.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.301 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 27.8 m 51.41 41.44 28.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.687 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -104.87 88.55 2.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.396 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -63.52 138.77 58.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.407 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 77.6 p -132.29 162.14 31.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.495 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -103.65 140.63 37.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.597 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.22 142.87 58.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.679 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 82.43 -62.5 4.57 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -60.93 -43.55 98.46 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.348 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 40.66 -126.81 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.552 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -106.48 16.52 24.56 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.616 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -68.38 134.97 51.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.811 0.339 . . . . 0.0 110.417 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 373' ' ' GLU . 17.5 mmmt -65.29 -40.0 93.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.811 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . 0.411 ' O ' ' O ' ' A' ' 372' ' ' LYS . 98.4 mt-10 54.01 169.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.489 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 53.88 40.71 31.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -87.5 2.99 49.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.625 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -69.28 144.77 53.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.605 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.415 -179.842 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 10.2 mmt . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 323' ' ' GLU . 54.3 mtmt -62.98 -38.62 91.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.53 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.2 -42.27 99.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.9 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.304 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.51 -40.11 93.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.311 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.1 99.39 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.441 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -64.84 -41.94 95.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.583 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -61.11 -43.14 99.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.662 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 87.4 mt -61.81 -45.38 94.08 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.436 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 94.0 mt -62.51 -43.65 98.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.273 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.09 -42.36 99.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.424 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.93 -43.33 99.07 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.956 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.762 ' CD2' HD21 ' B' ' 82' ' ' LEU . 34.2 m-85 -64.81 -44.38 90.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.935 0.397 . . . . 0.0 110.5 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.568 ' CZ ' HG21 ' B' ' 41' ' ' THR . 85.0 t80 -63.16 -48.12 79.77 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.915 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -60.14 -47.53 85.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.611 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -35.71 79.33 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.649 HD11 ' CE1' ' B' ' 60' ' ' PHE . 61.2 tp -67.26 -45.57 76.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.77 177.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.568 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 73.0 p -72.69 -28.04 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 -179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -103.14 -78.33 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.834 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.629 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 136.81 -155.26 22.57 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 108.25 -1.94 . . . . 0.0 108.25 175.329 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.6 p -98.25 -12.75 21.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.358 . . . . 0.0 110.664 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.08 -18.6 39.47 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 33.6 m120 -72.19 142.03 49.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.925 0.393 . . . . 0.0 110.579 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.74 -39.12 93.14 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.411 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -112.7 134.89 53.99 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.469 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 48.3 t -138.11 127.66 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.146 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 79.0 p -103.94 10.1 36.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -95.2 115.53 27.55 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.317 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -59.88 -37.19 78.64 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.23 -179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -94.73 59.91 2.46 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.571 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 36.5 t -157.08 141.65 16.7 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.429 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.629 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -72.63 172.46 10.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.268 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 7.1 m 63.49 17.77 10.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.061 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 52.6 t -105.28 131.98 21.28 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.569 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -46.77 -36.65 19.89 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 122.452 2.101 . . . . 0.0 112.371 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 81.5 p -79.6 -19.94 48.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.842 0.353 . . . . 0.0 110.794 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . 0.649 ' CE1' HD11 ' B' ' 40' ' ' LEU . 66.3 t80 -88.11 131.3 34.75 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 116.536 2.051 . . . . 0.0 116.536 172.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 mp -106.99 146.28 31.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.32 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -60.75 140.17 57.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.506 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -130.86 164.58 24.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.746 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -69.92 166.57 19.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.599 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . 0.406 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.2 m-20 -63.63 -40.67 97.47 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.465 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 345' ' ' VAL . 0.1 OUTLIER -67.48 -46.86 71.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.1 0.476 . . . . 0.0 110.288 179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.57 97.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.144 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.76 -38.38 90.34 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.205 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.16 -40.79 91.11 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.546 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.62 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.4 mm -62.71 -45.04 99.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -62.74 -39.54 94.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.119 179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . 0.418 ' HA ' HD12 ' B' ' 75' ' ' LEU . . . -61.68 -40.61 95.57 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.002 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.43 -43.66 98.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.476 -0.489 . . . . 0.0 110.395 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.575 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.7 mt-10 -64.32 -39.02 93.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.501 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' B' ' 72' ' ' ALA . 46.3 mt -60.5 -40.22 90.56 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.186 0.517 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -63.44 -46.11 87.82 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.284 178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -58.68 -46.65 86.76 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.556 -179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.575 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.4 tt -81.32 -11.83 12.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.579 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 59.3 t30 56.62 37.86 29.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.255 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.46 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -54.46 140.28 34.73 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -69.04 140.02 54.91 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.702 -179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.762 HD21 ' CD2' ' B' ' 36' ' ' TYR . 35.6 mt -78.95 151.21 31.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.871 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 53.2 t -62.39 -48.26 80.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -129.94 77.97 75.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -74.64 150.48 40.11 Favored 'Trans proline' 0 C--N 1.31 -1.464 0 C-N-CA 122.741 2.294 . . . . 0.0 112.064 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 71.2 m80 46.63 60.64 14.44 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.63 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo . . . . . 0 C--N 1.307 -1.626 0 C-N-CA 122.787 2.325 . . . . 0.0 112.193 -179.722 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.81 -39.96 93.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.508 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.6 105.08 17.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.795 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 308' ' ' ILE . 10.7 tp -67.12 -29.38 45.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . 0.52 ' O ' ' HB3' ' A' ' 310' ' ' ALA . 66.5 t0 -65.99 125.09 24.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.66 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 309' ' ' ASP . . . 69.48 24.19 5.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 43.3 t -139.01 120.99 15.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.586 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 89.9 p -66.84 -24.01 66.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.54 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . 63.48 12.51 6.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.457 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 66.4 mtt -86.17 -10.64 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.574 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 53.21 37.94 26.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 97.6 m -64.04 -42.51 97.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.742 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 68.9 m -88.12 -2.23 58.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.671 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -135.92 59.43 28.81 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.069 0.461 . . . . 0.0 110.542 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.91 -17.38 59.62 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.867 2.378 . . . . 0.0 112.145 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -58.13 -35.23 71.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.255 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -61.1 -38.18 85.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.707 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -58.8 132.63 54.48 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.407 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -66.74 -38.22 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -61.43 -21.94 64.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.613 -179.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -63.23 -38.0 89.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.516 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . 0.525 ' CD1' ' NH2' ' B' ' 26' ' ' ARG . 92.3 t80 -54.4 128.83 33.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.435 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -126.48 119.39 27.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.614 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.449 HG21 ' HB2' ' B' ' 29' ' ' ALA . 82.3 t -61.67 -41.3 89.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.457 -179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 5.4 mmt -58.61 -24.77 61.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.735 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -88.77 11.73 16.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . 0.506 ' OD2' ' CE1' ' A' ' 326' ' ' TYR . 53.3 m-20 -129.08 76.46 79.15 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.775 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -56.32 -37.11 97.47 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.79 2.327 . . . . 0.0 111.979 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.88 -41.69 98.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.611 -179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -64.54 -44.84 89.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.996 0.427 . . . . 0.0 110.31 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.2 mt -62.86 -40.03 96.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.667 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.96 -41.38 97.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.337 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 74.0 m -61.2 -39.29 89.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . 0.558 HG11 HG21 ' B' ' 33' ' ' ILE . 59.2 t -62.04 -44.1 98.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 0.0 110.539 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.52 -40.46 94.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.333 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.84 -37.77 88.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.454 179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -59.99 -39.79 86.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.13 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 342' ' ' LEU . 96.3 mt -61.15 138.6 94.42 Favored Pre-proline 0 CA--C 1.538 0.487 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.21 -179.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.57 137.28 30.05 Favored 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 122.059 1.84 . . . . 0.0 112.773 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 79.22 2.13 86.84 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.74 124.11 66.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-O 120.84 0.352 . . . . 0.0 110.32 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -145.24 153.92 53.16 Favored Pre-proline 0 N--CA 1.449 -0.488 0 C-N-CA 120.074 -0.65 . . . . 0.0 110.763 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -59.17 -22.14 63.09 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.816 2.344 . . . . 0.0 112.283 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -69.22 -19.04 63.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.545 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -67.27 127.39 32.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.337 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -62.2 -32.88 73.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -62.7 -44.1 97.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.531 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 5.0 mm -63.38 -45.1 98.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.616 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 71.2 ttp85 -60.75 -45.95 92.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.62 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.56 -40.57 97.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.621 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.554 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.8 mmt -65.14 -39.3 92.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.777 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.22 -44.97 96.96 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . 0.442 ' HB2' ' HZ2' ' A' ' 368' ' ' LYS . 47.7 t -64.58 -43.32 94.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.892 0.377 . . . . 0.0 110.406 179.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.82 -46.88 88.79 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.475 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -66.92 -41.52 86.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.816 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 358' ' ' SER . 58.5 m 41.9 28.51 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.4 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -64.07 -42.04 97.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.774 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.15 98.73 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.749 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 30.6 m -144.69 107.24 4.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.506 179.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 26.4 pttm -60.46 -29.74 69.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.934 0.397 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.52 -38.19 90.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.56 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 145.62 174.03 17.43 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . 0.442 ' HZ2' ' HB2' ' A' ' 358' ' ' SER . 23.0 mmtp -61.92 -41.79 98.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.719 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -143.57 9.32 1.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.618 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -89.82 79.24 6.71 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.086 -1.079 . . . . 0.0 108.086 -176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.25 -39.26 94.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.582 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -154.66 162.74 41.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.681 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -149.33 161.44 42.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.583 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -120.3 142.85 48.72 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.499 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 57.4 p30 -90.97 5.58 48.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.633 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -73.5 145.61 45.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.768 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 64.9 tttm . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.894 -1.051 . . . . 0.0 110.457 179.761 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -62.66 -37.31 85.9 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.544 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . 0.525 ' NH2' ' CD1' ' A' ' 326' ' ' TYR . 83.3 mtt85 -59.28 -46.81 87.54 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.212 -179.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.95 -41.46 95.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.979 0.419 . . . . 0.0 110.375 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.18 -39.55 94.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.453 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.449 ' HB2' HG21 ' A' ' 328' ' ' VAL . . . -59.62 -44.94 93.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.491 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -65.05 -43.15 93.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.733 179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -63.91 -42.12 97.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 70.2 mt -61.41 -45.32 94.83 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.544 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.558 HG21 HG11 ' A' ' 338' ' ' VAL . 84.6 mt -62.12 -44.79 99.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.35 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.418 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.6 tt0 -62.13 -43.67 98.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.377 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' B' ' 39' ' ' GLN . 99.1 mtt180 -62.72 -41.92 99.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.85 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -63.52 -43.01 98.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.692 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.5 ' CZ ' HG21 ' B' ' 41' ' ' THR . 65.2 t80 -62.37 -49.79 74.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.762 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 78.5 m-70 -65.18 -38.73 91.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.163 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . 0.459 ' HB2' ' O ' ' B' ' 35' ' ' ARG . 28.0 tp60 -63.17 -40.08 96.5 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.524 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.44 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 5.4 mp -72.23 -43.12 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.5 HG21 ' CZ ' ' B' ' 37' ' ' TYR . 68.5 p -71.85 -29.62 64.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.892 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -101.04 -81.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.54 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 129.51 -164.44 22.38 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 5.1 p -99.48 -9.58 23.18 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 96.05 -18.32 57.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -66.69 139.17 57.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.832 0.349 . . . . 0.0 110.393 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -63.42 -39.77 95.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.58 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -130.94 84.19 2.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.607 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 43.5 t -62.71 137.45 58.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 69.8 p -97.72 7.57 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.786 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -103.88 123.59 47.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.875 0.369 . . . . 0.0 110.182 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.6 -39.67 92.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.709 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -91.52 59.63 3.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.602 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 48.6 t -163.45 144.99 9.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.528 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.54 ' HB3' ' CA ' ' B' ' 43' ' ' GLY . . . -67.02 176.12 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.045 179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 5.7 m 64.55 16.83 10.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.04 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 51.7 t -102.13 130.13 24.91 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.547 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.0 -37.01 21.65 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.413 2.076 . . . . 0.0 112.417 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 63.7 p -78.08 -13.56 59.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.682 -176.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -100.96 121.8 42.4 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 129.577 3.151 . . . . 0.0 109.592 -176.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.6 mt -109.14 140.4 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.375 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -51.62 136.47 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.272 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.1 mtm -129.03 163.74 24.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.956 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.48 167.94 15.63 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -61.11 -45.63 93.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.731 176.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -48.16 81.6 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.689 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.9 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.19 -37.13 77.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 107.355 -1.35 . . . . 0.0 107.355 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.68 -40.99 94.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.72 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.554 HD12 ' CB ' ' A' ' 355' ' ' ALA . 43.0 mm -61.62 -46.35 96.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.277 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -62.12 -39.38 92.34 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.016 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.63 97.86 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.142 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.3 tp -63.54 -44.01 95.45 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.43 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -63.51 -40.49 97.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.529 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 25.4 mt -60.77 -40.16 91.48 Favored 'General case' 0 C--N 1.331 -0.222 0 O-C-N 123.236 0.335 . . . . 0.0 110.117 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -61.12 -41.84 97.45 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.835 179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -57.71 -44.21 85.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.446 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 pt -88.13 -2.33 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.705 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 52.23 40.53 29.15 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.336 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -53.2 138.69 31.2 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.019 0.438 . . . . 0.0 110.23 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -70.64 144.28 51.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.813 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 78.3 mt -78.27 154.75 30.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.724 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 51.0 t -59.67 -43.93 93.8 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -63.19 148.33 93.19 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.645 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.68 162.34 42.42 Favored 'Trans proline' 0 N--CA 1.494 1.541 0 C-N-CA 122.698 2.265 . . . . 0.0 112.539 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 52.8 58.54 14.46 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.487 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo . . . . . 0 C--N 1.306 -1.676 0 C-N-CA 122.83 2.353 . . . . 0.0 112.264 -179.833 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . 0.475 ' HB3' HG22 ' A' ' 308' ' ' ILE . . . 49.91 19.78 0.49 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' A' ' 307' ' ' ASP . 48.1 t0 49.05 40.09 16.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.446 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . 0.475 HG22 ' HB3' ' A' ' 306' ' ' ALA . 21.0 tt -143.04 138.88 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.579 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -91.03 102.21 14.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.569 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -152.99 153.97 34.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.594 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 98.9 p -151.9 160.27 43.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.624 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 38.6 t -68.49 139.51 55.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.615 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.11 137.34 58.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.454 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 65.7 mtt 44.92 29.89 0.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.515 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . 0.498 ' CG ' ' H ' ' A' ' 316' ' ' THR . 67.9 t0 42.5 -121.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.374 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.498 ' H ' ' CG ' ' A' ' 315' ' ' ASP . 94.9 m -121.37 128.7 52.5 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 97.5 p -154.76 162.57 41.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.564 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 49.89 68.2 3.68 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.609 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.77 141.51 84.66 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.704 2.27 . . . . 0.0 111.961 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -151.53 154.02 35.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.425 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -106.24 170.12 8.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.45 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.442 ' O ' ' OD1' ' A' ' 325' ' ' ASP . 24.1 pt-20 -153.54 154.38 34.19 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 120.748 0.308 . . . . 0.0 110.358 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.479 ' C ' ' HZ1' ' B' ' 25' ' ' LYS . 99.4 mt-10 -69.33 -18.57 63.83 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.917 0.389 . . . . 0.0 110.547 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.81 -25.69 67.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 322' ' ' GLU . 55.4 p30 -80.49 -1.79 43.24 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.727 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -64.32 131.36 47.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.596 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -123.96 117.1 24.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.613 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 82.8 t -60.99 -35.52 65.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.152 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.49 ' SD ' HD21 ' A' ' 359' ' ' LEU . 24.6 mmt -58.47 -34.36 70.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.51 -179.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -70.08 1.91 4.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.694 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -129.79 74.43 80.68 Favored Pre-proline 0 CA--C 1.532 0.25 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.683 179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -57.39 -33.66 96.62 Favored 'Trans proline' 0 N--CA 1.496 1.658 0 C-N-CA 122.753 2.302 . . . . 0.0 112.016 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -60.19 -45.76 92.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.076 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 76.8 t80 -62.83 -45.2 93.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.217 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.64 -40.08 93.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.775 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -61.76 -41.77 98.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.32 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 72.8 m -62.36 -41.45 98.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.703 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 68.8 t -63.32 -44.33 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.504 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . 0.418 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.6 mt -62.18 -41.79 98.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.5 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -64.76 -38.63 91.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.479 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.84 -36.99 77.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.387 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 342' ' ' LEU . 93.2 mt -59.98 140.89 90.24 Favored Pre-proline 0 CA--C 1.538 0.495 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.912 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_endo -69.49 137.5 36.38 Favored 'Trans proline' 0 N--CA 1.492 1.385 0 C-N-CA 121.894 1.729 . . . . 0.0 112.242 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . 0.404 ' HA3' HD22 ' B' ' 65' ' ' ASN . . . 79.55 1.18 86.16 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.88 125.83 69.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.134 0 CA-C-O 120.687 0.279 . . . . 0.0 110.53 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . 0.506 ' H ' ' ND2' ' A' ' 349' ' ' ASN . 96.9 m-20 -134.44 149.26 70.61 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.956 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.05 -22.39 62.23 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.357 2.038 . . . . 0.0 112.111 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -72.97 -14.82 61.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.711 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . 0.506 ' ND2' ' H ' ' A' ' 346' ' ' ASP . 99.0 m-20 -64.06 135.89 56.8 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.098 0.475 . . . . 0.0 110.237 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 60.9 mp0 -64.41 -37.25 86.87 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.38 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.9 -45.46 94.53 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.689 -179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.28 -44.33 97.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 179.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -61.19 -47.28 86.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.571 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 30.4 m120 -64.13 -40.26 95.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.814 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.524 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.81 -42.85 99.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -39.78 94.42 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.665 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.38 -44.73 96.39 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 75.5 m -65.68 -41.92 91.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.77 0.319 . . . . 0.0 110.797 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.49 HD21 ' SD ' ' A' ' 329' ' ' MET . 59.4 tp -63.9 -44.15 93.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.221 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.67 -39.97 93.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.711 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 41.3 t -62.06 138.75 58.43 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -100.57 5.64 44.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.698 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -58.59 143.1 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.652 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 81.3 p -130.21 166.92 19.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.573 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -59.1 -20.59 54.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.567 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 366' ' ' ASP . 67.3 t0 -59.8 -34.68 73.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.392 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 368' ' ' LYS . . . -59.16 -17.17 36.69 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . 0.433 ' O ' ' O ' ' A' ' 367' ' ' GLY . 63.8 pttt -40.21 163.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.831 0.348 . . . . 0.0 110.761 179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.3 mttm 56.61 27.02 11.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.596 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 48.68 36.14 7.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.598 179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 64.5 mttp 50.66 36.87 15.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -79.03 137.13 37.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.961 0.41 . . . . 0.0 110.844 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -84.79 147.99 26.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.404 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.61 -39.66 94.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.317 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -90.16 107.0 18.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -62.26 -40.02 94.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.472 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.654 -179.843 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.479 ' HZ1' ' C ' ' A' ' 323' ' ' GLU . 1.7 mmmm -62.53 -40.23 96.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.568 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 82.1 mtt85 -62.95 -41.18 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.505 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.39 96.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.399 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.32 -40.71 95.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.42 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -63.22 -42.68 99.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.76 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -46.37 89.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.821 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.46 -43.76 98.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.268 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.77 -44.95 99.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.243 179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.405 ' O ' ' HD2' ' B' ' 38' ' ' HIS . 88.1 tt0 -61.31 -43.53 98.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.414 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 20.4 mmt85 -63.63 -41.48 98.25 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.995 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -65.23 -40.28 93.86 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.821 -0.351 . . . . 0.0 111.322 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.644 ' O ' HG23 ' B' ' 41' ' ' THR . 93.5 t80 -62.52 -49.62 74.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . 0.405 ' HD2' ' O ' ' B' ' 34' ' ' GLU . 84.4 m-70 -64.54 -41.94 96.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.598 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -65.06 -42.25 94.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.456 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' B' ' 55' ' ' ALA . 54.0 tp -68.82 -42.66 76.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.535 179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.644 HG23 ' O ' ' B' ' 37' ' ' TYR . 68.3 p -71.26 -29.32 64.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -105.43 -76.01 0.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.814 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.664 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 137.47 -153.96 22.26 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 108.724 -1.75 . . . . 0.0 108.724 176.091 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 6.9 p -98.71 -12.63 20.81 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.682 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 89.82 -18.12 49.06 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -71.64 138.93 49.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.622 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.25 -39.75 95.47 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.552 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -115.9 126.19 53.59 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.464 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.9 t -141.97 129.37 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . . . . . . . . . 56.4 m -113.2 68.68 0.68 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.494 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -147.29 125.66 12.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 61.0 mp0 -62.75 -38.81 92.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.39 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -92.52 60.24 3.51 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.636 -179.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 26.9 t -162.8 136.97 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.294 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.664 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -73.94 173.19 10.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.457 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 8.4 m 63.7 18.61 11.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.988 -179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 90.0 m -100.91 150.48 37.08 Favored Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.191 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.93 -32.43 47.48 Favored 'Trans proline' 0 N--CA 1.497 1.71 0 C-N-CA 122.144 1.896 . . . . 0.0 112.477 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 77.4 p -92.97 12.67 23.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.058 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -113.14 125.93 54.89 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 -172.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 82.1 mt -113.44 138.5 50.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.19 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -53.34 128.13 27.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.309 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -118.64 167.93 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.641 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -77.99 169.4 18.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.773 -0.648 . . . . 0.0 109.906 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . 0.404 HD22 ' HA3' ' A' ' 344' ' ' GLY . 99.1 m-20 -63.88 -41.03 97.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.732 178.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.74 -45.0 72.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.034 0.445 . . . . 0.0 110.035 179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.15 -40.65 98.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.034 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.88 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.144 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.418 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.97 -41.56 92.21 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.675 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.524 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.1 mm -65.59 -44.35 93.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.163 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.52 -40.9 98.24 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.02 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.35 -41.47 98.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.324 179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 59.9 tp -63.28 -43.49 97.77 Favored 'General case' 0 C--O 1.232 0.165 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.22 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -63.03 -39.55 95.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.372 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -64.22 -36.67 84.84 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.243 0.544 . . . . 0.0 110.176 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -60.4 -49.08 79.01 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.636 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 24.9 pttt -69.07 -31.48 70.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.692 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 2.2 tt -81.21 -9.46 11.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.961 0.41 . . . . 0.0 110.45 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 55.17 39.01 31.3 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.293 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -54.71 140.14 36.76 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.065 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -71.03 143.06 50.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.761 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.95 155.34 27.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.81 179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 45.6 t -120.27 78.09 1.32 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.593 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -133.76 77.48 63.45 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.289 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_exo -57.93 145.86 89.31 Favored 'Trans proline' 0 N--CA 1.497 1.683 0 C-N-CA 123.041 2.494 . . . . 0.0 111.83 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -67.85 148.23 98.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.031 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo . . . . . 0 C--N 1.316 -1.165 0 C-N-CA 122.43 2.086 . . . . 0.0 112.195 179.545 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -148.93 153.47 38.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.478 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -88.43 105.62 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.51 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 41.4 pt -130.32 156.82 42.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -88.01 105.29 17.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.53 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . -63.72 142.89 58.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.474 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 41.0 t -62.56 140.28 58.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.617 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 81.1 p -71.23 161.16 31.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.636 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -61.88 -40.01 93.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 315' ' ' ASP . 16.5 tmm? -115.01 119.43 36.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.691 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . 0.492 ' O ' ' SD ' ' A' ' 314' ' ' MET . 98.7 m-20 -66.21 139.86 58.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.602 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . 0.438 ' O ' ' OE2' ' A' ' 318' ' ' GLU . 94.5 m -63.03 -43.97 97.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.654 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 46.9 t -68.23 147.0 52.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.544 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 318' ' ' GLU . 44.2 mp0 -128.3 68.98 77.86 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -72.26 -15.81 28.32 Favored 'Trans proline' 0 C--N 1.31 -1.468 0 C-N-CA 122.828 2.352 . . . . 0.0 112.245 -179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -60.29 139.62 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.655 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . 0.529 ' NZ ' ' O ' ' B' ' 77' ' ' LYS . 71.3 mmtt -103.1 3.51 36.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.484 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 59.61 41.98 17.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.678 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -127.13 126.42 42.9 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.536 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -91.55 -58.98 2.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -139.96 57.59 1.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.84 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -160.34 131.8 5.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.414 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -117.77 109.71 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.389 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . . . . . . . . . 74.9 t -62.42 -41.82 93.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.536 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . . . . . . . . . 21.2 mmt -60.63 -35.96 77.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.518 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.36 5.15 1.87 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.047 0.451 . . . . 0.0 110.356 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 -129.01 75.82 79.95 Favored Pre-proline 0 C--O 1.233 0.22 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.473 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_exo -56.55 -36.57 97.95 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 122.764 2.31 . . . . 0.0 111.893 -179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -62.14 -41.4 98.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.804 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -62.27 -48.1 81.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.301 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.61 -40.12 96.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.6 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.589 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 75.0 m -61.23 -42.46 98.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.673 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.46 -45.25 98.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.131 0.491 . . . . 0.0 110.415 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . 0.657 HD22 ' HB1' ' B' ' 69' ' ' ALA . 87.2 mt -62.48 -42.29 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.503 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -64.75 -38.03 89.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.546 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -59.2 -37.97 78.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.991 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . . . . . . . . . 98.8 mt -58.47 142.96 81.68 Favored Pre-proline 0 C--N 1.324 -0.5 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.012 -179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -69.5 135.52 31.28 Favored 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 122.129 1.886 . . . . 0.0 112.575 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 78.64 2.46 85.34 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 74.4 t -111.0 124.96 68.28 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.28 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.358 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -134.4 148.5 67.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -67.48 -19.92 48.36 Favored 'Trans proline' 0 N--CA 1.493 1.469 0 C-N-CA 122.489 2.126 . . . . 0.0 112.257 179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -80.09 -4.66 53.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.802 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -70.74 138.79 50.8 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 110.457 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.38 -38.94 91.53 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.492 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.44 92.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.839 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -66.21 -42.61 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.629 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -61.29 -47.23 86.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.786 -179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.99 -39.72 93.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.533 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.42 -42.22 98.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.62 -179.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -39.46 94.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.556 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -63.09 -43.36 98.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 92.3 p -64.86 -38.49 91.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.843 0.354 . . . . 0.0 110.63 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . . . . . . . . . 59.2 tp -63.86 -44.55 92.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.423 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.11 93.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 -179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 89.7 p -63.12 -39.27 94.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.706 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -63.92 -41.28 97.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.39 . . . . 0.0 110.582 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -62.12 -41.05 97.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.551 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 69.2 p -81.71 158.65 24.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -63.27 -40.76 98.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.788 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -149.19 98.71 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . -62.16 -40.22 98.67 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -70.34 146.07 50.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.686 0.279 . . . . 0.0 110.455 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -127.19 148.89 50.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.573 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.67 140.2 57.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.471 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -62.37 -39.59 93.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.63 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 88.0 tttt 62.35 -83.01 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.442 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -73.58 130.23 39.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.219 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.28 146.24 41.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . . . . . . . . . 56.5 p30 -89.43 6.24 41.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.657 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -71.71 144.19 49.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.5 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . . . . . . . . . 23.0 pttp . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.647 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 83.8 mmm . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 36.6 mttm -62.12 -41.44 98.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.18 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.59 -42.09 99.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.47 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.79 97.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.472 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -40.55 97.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.429 179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.64 99.05 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.495 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.61 -44.33 90.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.756 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 65.5 m-70 -61.44 -42.92 99.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.967 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.53 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.6 mt -62.46 -44.93 95.21 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.797 0.332 . . . . 0.0 110.115 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.5 mt -61.69 -45.43 98.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.603 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.54 -41.38 98.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.638 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.51 -44.72 93.48 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.07 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.626 ' CD2' HD21 ' B' ' 82' ' ' LEU . 30.2 m-85 -64.81 -43.63 92.49 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.698 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . 0.406 ' O ' HG23 ' B' ' 41' ' ' THR . 91.3 t80 -62.61 -49.63 74.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.642 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -66.89 -35.27 79.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.368 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.15 -38.15 90.03 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.899 0.381 . . . . 0.0 111.443 177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.724 HD11 ' CD1' ' B' ' 75' ' ' LEU . 97.2 mt -72.2 -39.13 68.82 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.462 -0.495 . . . . 0.0 111.091 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . 0.406 HG23 ' O ' ' B' ' 37' ' ' TYR . 59.6 p -82.12 -16.06 51.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -179.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . 0.466 ' C ' ' HB3' ' B' ' 55' ' ' ALA . 98.7 mt-10 -115.48 -63.81 1.4 Allowed 'General case' 0 N--CA 1.466 0.374 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 -174.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.679 ' CA ' ' HB3' ' B' ' 55' ' ' ALA . . . 103.86 -165.88 15.52 Favored Glycine 0 N--CA 1.463 0.456 0 N-CA-C 106.516 -2.634 . . . . 0.0 106.516 174.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 4.3 p -99.14 -13.28 19.85 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.721 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 88.61 -18.24 44.09 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -71.09 138.44 49.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.922 0.392 . . . . 0.0 110.371 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -62.97 -39.79 95.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.637 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -123.28 125.56 45.29 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.589 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 45.1 t -150.53 131.24 14.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.445 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.605 ' O ' HG23 ' B' ' 50' ' ' THR . 8.6 t -86.0 66.37 9.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.648 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' B' ' 83' ' ' CYS . 17.4 t-20 -141.57 113.84 8.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . 0.4 ' HA ' ' OG1' ' B' ' 59' ' ' THR . 0.8 OUTLIER -70.47 -12.95 61.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.48 -179.362 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -119.68 59.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.002 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -161.33 139.62 9.54 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.146 178.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.698 ' HB2' ' O ' ' B' ' 40' ' ' LEU . . . -78.55 165.83 23.27 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.439 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 75.77 14.24 2.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.357 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 6.6 p -127.14 147.11 60.43 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.377 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -67.9 -21.29 44.11 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.623 2.216 . . . . 0.0 112.363 179.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.473 ' H ' HG23 ' B' ' 59' ' ' THR . 1.4 p -71.04 -21.94 62.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.721 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -133.46 132.66 41.33 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.479 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.68 148.75 24.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.542 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 -56.32 136.49 53.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.212 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 2.3 tpp -125.35 172.0 9.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.685 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 166.98 22.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.049 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.96 -41.33 99.5 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.356 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.32 -47.42 82.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.068 0.461 . . . . 0.0 110.634 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.72 -40.87 96.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.319 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . 0.401 ' HB3' ' CE1' ' B' ' 37' ' ' TYR . . . -62.15 -38.96 91.0 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.311 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . 0.657 ' HB1' HD22 ' A' ' 339' ' ' LEU . . . -59.95 -42.11 93.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.816 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.533 HD12 ' CB ' ' A' ' 355' ' ' ALA . 45.5 mm -63.76 -45.14 98.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.243 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmtp -62.18 -39.9 94.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.381 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.16 96.25 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.267 179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.4 tp -62.67 -45.25 93.66 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.49 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.538 ' O ' HG22 ' B' ' 78' ' ' ILE . 97.4 mt-10 -67.25 -39.97 86.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.811 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.724 ' CD1' HD11 ' B' ' 40' ' ' LEU . 27.8 mt -62.5 -40.47 96.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.072 0.463 . . . . 0.0 110.174 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.53 ' HE1' HD12 ' B' ' 32' ' ' LEU . 84.3 t80 -62.15 -46.25 89.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.208 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.529 ' O ' ' NZ ' ' A' ' 321' ' ' LYS . 2.3 ttpm? -57.81 -48.36 79.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.732 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.538 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.7 tt -80.74 -11.4 12.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.614 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.8 37.65 28.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.49 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -57.15 141.34 46.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.264 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -75.69 146.76 39.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.624 -179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.626 HD21 ' CD2' ' B' ' 36' ' ' TYR . 2.2 mp -98.0 123.97 42.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.126 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . 0.67 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 79.7 m 41.01 53.68 3.32 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.261 179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -114.77 133.68 22.54 Favored Pre-proline 0 CA--C 1.534 0.362 0 O-C-N 123.283 0.364 . . . . 0.0 110.865 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -70.52 149.11 61.52 Favored 'Trans proline' 0 N--CA 1.492 1.418 0 C-N-CA 122.318 2.012 . . . . 0.0 112.077 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.587 ' H ' ' HD2' ' B' ' 86' ' ' HIS . 0.3 OUTLIER -135.63 149.15 68.35 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.763 179.729 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo . . . . . 0 N--CA 1.495 1.577 0 C-N-CA 122.563 2.176 . . . . 0.0 112.093 179.369 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 306' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.84 95.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.52 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 307' ' ' ASP . . . . . . . . . . . . . 40.9 t0 51.77 46.21 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.68 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 308' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.26 -45.23 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 309' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -61.47 -40.14 93.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.642 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 310' ' ' ALA . . . . . . . . . . . . . . . 51.01 40.4 25.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.622 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 311' ' ' SER . . . . . . . . . . . . . 82.5 p -71.01 162.8 28.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.466 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 312' ' ' SER . . . . . . . . . . . . . 71.2 m -63.46 143.56 57.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.649 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 313' ' ' ALA . . . . . . . . . . . . . . . -63.91 142.05 58.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.537 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 314' ' ' MET . . . . . . . . . . . . . 59.4 ttm -61.75 -43.13 99.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.408 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 315' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -82.13 -179.34 7.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.637 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 316' ' ' THR . . . . . . . . . . . . . 70.5 p -76.1 166.35 23.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.486 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 82.6 p -70.11 161.44 30.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.504 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 318' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -132.88 65.61 74.51 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.315 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 319' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 152.44 48.49 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 C-N-CA 122.707 2.271 . . . . 0.0 112.256 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 320' ' ' ALA . . . . . . . . . . . . . . . -65.33 137.49 57.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.496 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 321' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -64.11 -39.48 94.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.797 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 322' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 323' ' ' GLU . 80.9 mm-40 -61.81 153.22 29.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.921 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 323' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 322' ' ' GLU . 62.6 mm-40 82.93 -55.69 0.17 Allowed 'General case' 0 N--CA 1.455 -0.177 0 O-C-N 123.802 0.689 . . . . 0.0 110.884 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 324' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -59.42 -35.86 74.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.395 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 325' ' ' ASP . . . . . . . . . . . . . 58.7 p30 -65.36 -8.11 16.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.789 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 326' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -58.62 129.11 40.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.407 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 327' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -103.42 111.17 23.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.503 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 328' ' ' VAL . . . . . 0.643 HG21 ' OH ' ' B' ' 76' ' ' TYR . 80.6 t -68.3 -38.79 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.711 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 329' ' ' MET . . . . . 0.407 ' SD ' HD21 ' A' ' 359' ' ' LEU . 26.0 mmt -64.62 -11.36 34.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.658 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 330' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -68.47 -35.42 77.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.88 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 331' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -116.23 72.48 4.85 Favored Pre-proline 0 CA--C 1.531 0.232 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 332' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.11 -19.97 68.22 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 122.428 2.085 . . . . 0.0 112.408 -178.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 333' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -61.87 -39.66 92.66 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.18 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 334' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -63.48 -44.87 93.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.065 0.46 . . . . 0.0 110.427 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 335' ' ' LEU . . . . . 0.567 HD11 HG12 ' A' ' 328' ' ' VAL . 87.5 mt -62.05 -39.1 91.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.592 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 336' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -60.5 -42.41 96.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.201 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 337' ' ' SER . . . . . . . . . . . . . 47.0 t -61.78 -43.2 99.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.044 0.45 . . . . 0.0 110.525 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 338' ' ' VAL . . . . . . . . . . . . . 75.3 t -63.06 -43.31 98.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.105 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 339' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.74 -39.51 91.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 340' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -62.82 -40.42 97.35 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.259 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 341' ' ' ASN . . . . . . . . . . . . . 48.0 t-20 -59.93 -41.47 91.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.7 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 342' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 342' ' ' LEU . 95.8 mt -42.41 106.33 0.46 Allowed Pre-proline 0 CA--C 1.536 0.43 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.173 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 343' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -54.66 139.42 76.54 Favored 'Trans proline' 0 N--CA 1.498 1.776 0 C-N-CA 122.025 1.817 . . . . 0.0 112.345 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 344' ' ' GLY . . . . . . . . . . . . . . . 81.82 0.69 89.71 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 345' ' ' VAL . . . . . . . . . . . . . 67.8 t -127.62 131.08 70.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.637 0.255 . . . . 0.0 110.39 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 346' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -129.83 150.42 75.82 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.832 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 347' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -62.71 -17.49 59.23 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 122.457 2.104 . . . . 0.0 112.161 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 348' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -73.18 -12.16 60.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 349' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -64.68 136.24 56.75 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.086 0.47 . . . . 0.0 110.578 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 350' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.87 -38.75 92.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.272 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 351' ' ' ALA . . . . . . . . . . . . . . . -60.48 -44.65 95.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.701 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 352' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 352' ' ' ILE . 1.7 mp -64.15 -44.72 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.729 178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 353' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -61.32 -46.28 90.94 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.92 0.391 . . . . 0.0 110.614 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 354' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -62.82 -41.39 99.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.672 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 355' ' ' ALA . . . . . 0.495 ' CB ' HD12 ' B' ' 70' ' ' ILE . . . -61.23 -41.72 97.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 356' ' ' MET . . . . . . . . . . . . . 36.5 mmt -63.78 -39.33 93.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.438 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . -62.3 -43.74 98.65 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 358' ' ' SER . . . . . . . . . . . . . 89.8 p -66.54 -38.23 86.69 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.882 0.372 . . . . 0.0 110.598 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 359' ' ' LEU . . . . . 0.407 HD21 ' SD ' ' A' ' 329' ' ' MET . 60.1 tp -62.72 -43.44 98.8 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.111 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 360' ' ' ALA . . . . . . . . . . . . . . . -60.85 -41.24 95.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.768 -179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 361' ' ' SER . . . . . . . . . . . . . 90.1 p -63.71 -38.86 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.545 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 362' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -65.1 -39.21 92.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.508 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 363' ' ' ALA . . . . . . . . . . . . . . . -60.57 -39.91 89.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.701 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 364' ' ' THR . . . . . . . . . . . . . 98.7 m -102.96 122.78 45.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.507 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 365' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -67.19 134.95 52.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.633 -178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 366' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -68.27 131.01 44.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.47 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 367' ' ' GLY . . . . . . . . . . . . . . . 87.27 4.42 81.0 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 368' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -60.48 -43.55 96.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 0.0 110.416 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 369' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -99.72 151.84 20.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.607 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 370' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.93 142.52 56.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.437 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 371' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -60.79 -42.73 98.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.279 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 372' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -74.41 143.35 44.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.621 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 373' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -89.93 146.85 24.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.706 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 374' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 54.42 42.62 31.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.333 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 375' ' ' ASP . . . . . 0.547 ' O ' ' N ' ' A' ' 377' ' ' LYS . 56.0 p-10 -58.07 148.74 25.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 109.895 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 376' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 375' ' ' ASP . 22.9 pttp 32.05 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.431 0.457 . . . . 0.0 111.071 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 377' ' ' LYS . . . . . 0.547 ' N ' ' O ' ' A' ' 375' ' ' ASP . 88.4 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.934 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 16.0 mmmt -62.18 -40.13 95.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.606 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -62.23 -39.87 94.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.201 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.34 93.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.423 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.19 93.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.34 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.46 -41.22 96.88 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.451 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -61.94 -42.88 99.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.662 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -60.91 -43.08 99.05 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.849 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' B' ' 76' ' ' TYR . 85.8 mt -61.24 -51.26 69.71 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 179.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 93.6 mt -58.7 -44.82 90.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.233 -177.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -61.44 -45.21 95.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.353 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.26 -41.3 97.0 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.866 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' TYR . . . . . 0.55 ' CD2' HD21 ' B' ' 82' ' ' LEU . 25.8 m-85 -62.66 -44.05 97.25 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.944 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -61.49 -49.75 75.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.961 0.41 . . . . 0.0 110.72 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' HIS . . . . . . . . . . . . . 81.9 m-70 -68.62 -33.92 74.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.128 -0.487 . . . . 0.0 112.257 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.1 tp60 -65.78 -37.23 85.74 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.482 179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.414 HD11 HD12 ' B' ' 75' ' ' LEU . 82.4 mt -68.23 -39.78 82.21 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.598 -0.441 . . . . 0.0 111.384 177.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 57.5 p -87.1 -11.78 49.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.458 -178.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -112.64 -58.78 2.1 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -176.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLY . . . . . 0.556 ' HA2' ' HB3' ' B' ' 55' ' ' ALA . . . 98.38 -164.67 21.25 Favored Glycine 0 N--CA 1.471 0.977 0 N-CA-C 103.633 -3.787 . . . . 0.0 103.633 170.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' CYS . . . . . . . . . . . . . 25.0 p -98.67 -13.21 20.4 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.824 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . 87.02 -17.56 40.99 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 178.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -72.15 129.37 38.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.823 0.344 . . . . 0.0 110.478 -179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.77 -39.99 95.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.535 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -107.42 106.75 17.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 47.0 t -137.16 125.6 23.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.153 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' THR . . . . . 0.63 ' O ' HG23 ' B' ' 50' ' ' THR . 7.0 t -113.47 74.37 0.86 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.6 -179.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASN . . . . . 0.593 ' ND2' ' H ' ' B' ' 84' ' ' ASP . 63.9 t30 -147.04 126.69 13.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.176 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.98 -39.3 91.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.771 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -93.98 61.46 2.99 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.794 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' CYS . . . . . . . . . . . . . 31.0 t -162.98 141.1 8.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.556 ' HB3' ' HA2' ' B' ' 43' ' ' GLY . . . -85.13 167.68 15.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.084 0.468 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 74.58 -3.88 2.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.15 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' CYS . . . . . . . . . . . . . 85.6 m -74.4 149.71 86.75 Favored Pre-proline 0 C--N 1.326 -0.451 0 C-N-CA 120.024 -0.67 . . . . 0.0 111.079 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.94 -37.03 55.33 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.125 1.883 . . . . 0.0 112.506 178.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 73.0 p -84.01 -10.36 57.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.919 -179.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -96.61 127.92 43.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.684 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 81.4 mt -114.9 145.82 41.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.3 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -57.81 147.01 29.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.381 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.87 168.06 20.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.764 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -68.02 161.47 26.62 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -60.34 -34.48 73.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.609 176.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -70.17 -46.43 64.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.245 0.545 . . . . 0.0 110.211 179.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.11 95.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.036 179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.88 -39.12 90.82 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.206 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.95 91.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ILE . . . . . 0.495 HD12 ' CB ' ' A' ' 355' ' ' ALA . 44.4 mm -63.59 -45.51 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.398 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -63.04 -39.94 96.24 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.071 0.463 . . . . 0.0 109.92 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.39 -40.7 95.33 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.354 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.9 tp -62.77 -44.21 96.78 Favored 'General case' 0 C--N 1.333 -0.15 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.353 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.719 ' O ' HG22 ' B' ' 78' ' ' ILE . 98.5 mt-10 -63.01 -39.42 94.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.024 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.414 HD12 HD11 ' B' ' 40' ' ' LEU . 46.2 mt -61.65 -41.15 97.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.17 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' TYR . . . . . 0.643 ' OH ' HG21 ' A' ' 328' ' ' VAL . 87.8 t80 -62.62 -47.33 84.24 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.475 179.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -57.59 -49.69 75.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.691 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . 0.719 HG22 ' O ' ' B' ' 74' ' ' GLU . 12.5 tt -80.61 -7.33 10.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.686 179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ASN . . . . . . . . . . . . . 56.7 t30 47.08 40.06 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.463 ' H ' HG23 ' B' ' 78' ' ' ILE . . . -62.25 142.12 57.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.345 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -74.13 145.75 44.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.531 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LEU . . . . . 0.621 HD12 ' H ' ' B' ' 82' ' ' LEU . 2.6 mp -97.04 135.49 38.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.82 -179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' CYS . . . . . . . . . . . . . 5.0 t 41.72 67.16 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ASP . . . . . 0.593 ' H ' ' ND2' ' B' ' 51' ' ' ASN . 59.9 t0 -132.19 78.44 68.72 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.405 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.46 145.38 88.63 Favored 'Trans proline' 0 N--CA 1.496 1.637 0 C-N-CA 122.925 2.417 . . . . 0.0 112.072 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' B' ' 86' ' ' HIS . 65.1 t-80 52.77 59.93 13.3 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.414 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo . . . . . 0 C--N 1.308 -1.591 0 C-N-CA 122.71 2.273 . . . . 0.0 112.229 -179.919 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_