data_2n4h_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n4h _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.415 -0.587 . . . . 5.83 109.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.2 ttp -64.8 -38.79 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 8.95 110.648 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.82 -31.99 65.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.418 0.628 . . . . 7.75 109.623 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.934 -1.03 . . . . 4.15 110.723 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -73.22 -34.82 66.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.955 -0.566 . . . . 5.81 111.255 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.44 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 5.79 111.19 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -68.09 -33.07 73.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 6.05 110.674 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.37 -28.9 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.161 -0.472 . . . . 4.67 111.111 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.48 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 5.62 111.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.21 -29.28 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 6.31 110.964 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.2 -27.94 69.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 5.36 110.752 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.5 t -96.35 -24.24 16.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 5.4 110.816 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 35.4 t -61.54 -51.18 69.67 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.397 -0.365 . . . . 6.3 110.821 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -134.37 172.92 12.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.531 -0.544 . . . . 8.67 109.531 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.97 48.78 4.01 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.346 -1.101 . . . . 5.29 110.346 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 163.57 13.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.59 -0.805 . . . . 5.53 110.342 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 21.0 mmt -81.79 151.25 27.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.872 -0.604 . . . . 8.4 110.43 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.09 -36.29 93.06 Favored Glycine 0 CA--C 1.504 -0.619 0 CA-C-N 114.882 -1.054 . . . . 5.26 113.387 -169.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.32 -13.5 59.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.737 0.303 . . . . 9.48 111.141 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.3 -33.08 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 7.49 110.038 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 5.4 109.565 176.689 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 109.518 -0.549 . . . . 5.83 109.518 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.07 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 8.95 109.824 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.7 mtp -79.84 -21.55 44.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.721 . . . . 7.75 110.512 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.22 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.637 -0.711 . . . . 4.15 110.908 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.93 -43.35 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 5.81 110.296 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.12 99.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 5.79 110.839 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.62 -36.51 80.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.116 -0.493 . . . . 6.05 111.171 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.99 -29.19 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.35 -0.387 . . . . 4.67 111.09 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.49 89.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 5.62 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.04 -39.96 79.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 6.31 111.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.46 -26.01 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 5.36 110.927 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.4 t -87.71 -35.79 17.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.97 -0.559 . . . . 5.4 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 49.7 m -66.15 -51.09 61.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.488 -0.324 . . . . 6.3 111.403 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -129.54 150.15 51.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 8.67 110.199 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.35 8.83 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.108 -1.597 . . . . 5.29 109.108 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.23 134.6 57.15 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.832 -0.684 . . . . 5.53 111.889 -171.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.7 mmt -74.03 149.05 41.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.079 -0.964 . . . . 8.4 110.65 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -61.97 -35.54 91.54 Favored Glycine 0 CA--C 1.505 -0.542 0 CA-C-N 115.421 -0.808 . . . . 5.26 111.904 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -59.57 -18.41 40.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.446 0.536 . . . . 9.48 112.446 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 -23.59 59.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.752 0.31 . . . . 7.49 110.929 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.069 -0.514 . . . . 5.4 110.73 179.723 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.272 0.558 . . . . 5.83 109.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.4 ttm -63.41 -37.34 86.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.105 -0.952 . . . . 8.95 110.526 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 25.1 ptm -87.11 -24.36 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 7.75 110.378 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.09 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 4.15 110.743 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.5 88.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 5.81 111.249 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 5.79 110.989 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.13 -22.76 62.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 6.05 111.473 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -72.12 -27.5 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.873 0.368 . . . . 4.67 111.113 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.44 63.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 5.62 111.531 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.16 -42.9 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 6.31 111.379 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.45 -26.69 68.56 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.377 -0.374 . . . . 5.36 111.234 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.3 m -76.89 -24.9 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 5.4 110.726 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 7.2 t -93.7 -48.57 6.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.104 -0.498 . . . . 6.3 110.537 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -132.96 144.97 50.47 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.269 -0.423 . . . . 8.67 110.404 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 88.48 19.18 53.25 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.578 -1.009 . . . . 5.29 110.578 -171.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.68 116.81 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.686 -0.757 . . . . 5.53 110.192 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 337' ' ' MET . . . . . 0.642 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 88.6 mtp -78.32 141.03 38.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 8.4 110.459 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.19 -36.61 92.04 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.311 -0.859 . . . . 5.26 112.411 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.2 ptp -64.37 -18.05 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.574 0.213 . . . . 9.48 111.574 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 79.6 mt -70.67 -23.48 62.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.004 0.43 . . . . 7.49 110.239 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 109.036 -0.727 . . . . 5.4 109.036 174.519 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 324' ' ' ALA . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.351 -0.611 . . . . 5.83 109.351 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 68.2 mtm -70.04 -37.41 75.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.868 -0.605 . . . . 8.95 109.941 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.0 -27.55 49.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.726 . . . . 7.75 109.505 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 321' ' ' ALA . . . -70.45 -40.48 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.228 -0.896 . . . . 4.15 110.359 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.41 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.077 -0.511 . . . . 5.81 110.284 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.38 99.06 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.447 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 331' ' ' GLN . 57.4 tp60 -67.21 -41.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 6.05 110.337 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.6 98.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 4.67 110.978 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.75 74.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.522 . . . . 5.62 110.93 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.06 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 6.31 110.449 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 327' ' ' GLN . 20.0 mt-30 -65.5 -26.84 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.916 -0.584 . . . . 5.36 111.326 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.0 m -94.71 -24.39 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.02 0.438 . . . . 5.4 110.71 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 20.1 m -81.61 -42.29 20.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 6.3 111.146 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -125.96 150.15 48.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.008 -0.542 . . . . 8.67 109.611 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.07 44.56 6.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.518 -0.849 . . . . 5.29 111.66 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.6 tpp -70.26 120.54 16.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 5.53 110.359 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 337' ' ' MET . . . . . 0.572 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 80.5 mtp -75.39 150.65 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.602 -0.726 . . . . 8.4 110.549 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.64 93.37 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 116.024 -0.535 . . . . 5.26 112.015 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.6 tpp -65.86 -25.61 67.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 9.48 110.936 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.572 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 67.7 mt -88.25 -1.79 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 7.49 111.081 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 5.4 110.759 -178.617 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.714 0.293 . . . . 5.83 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 17.1 tpt -68.35 -37.75 80.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 8.95 110.182 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.0 mmm -78.37 -28.1 47.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.347 0.594 . . . . 7.75 109.73 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.01 86.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.252 -0.885 . . . . 4.15 110.63 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.99 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.674 . . . . 5.81 111.136 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.45 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 5.79 111.118 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.859 ' HA ' HE21 ' A' ' 327' ' ' GLN . 0.0 OUTLIER -69.1 -30.61 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 6.05 111.272 -178.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.13 61.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 4.67 111.294 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.15 -10.24 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 5.62 111.421 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -70.47 -26.12 63.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.061 -0.518 . . . . 6.31 111.182 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.19 -24.96 67.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.534 0.938 . . . . 5.36 113.534 -171.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 27.9 t -74.27 -35.24 63.77 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.773 -0.371 . . . . 5.4 110.971 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.6 p -90.89 -50.74 5.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.845 0.355 . . . . 6.3 111.265 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -113.69 174.02 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 8.67 110.397 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.36 62.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.527 -0.844 . . . . 5.29 111.278 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -81.89 139.0 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 5.53 110.216 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.9 mmt -100.31 150.81 22.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.216 -0.447 . . . . 8.4 110.596 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.22 92.36 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.474 -0.784 . . . . 5.26 112.156 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 15.2 tpt -59.77 -20.4 56.44 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.875 0.369 . . . . 9.48 111.775 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.06 -32.74 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 7.49 110.725 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.29 0 O-C-N 123.776 0.672 . . . . 5.4 112.035 -179.447 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 324' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.248 -0.649 . . . . 5.83 109.248 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.12 -39.04 92.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.106 -0.497 . . . . 8.95 110.103 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 71.0 mtm -78.65 -30.61 46.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.58 -0.736 . . . . 7.75 109.259 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . 0.622 ' HB2' ' HA ' ' A' ' 321' ' ' ALA . . . -64.12 -40.57 96.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.204 -0.907 . . . . 4.15 110.329 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.38 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 5.81 111.077 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.78 80.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 5.79 110.496 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.31 -40.96 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 6.05 110.719 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -67.31 -24.09 65.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.098 -0.501 . . . . 4.67 110.88 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.6 94.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 5.62 110.51 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.82 -42.13 97.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 6.31 109.736 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -26.45 68.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 5.36 110.88 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.0 m -90.69 -36.31 14.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.317 -0.402 . . . . 5.4 110.941 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 36.0 t -76.75 -40.41 48.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.384 -0.371 . . . . 6.3 111.232 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -118.95 168.71 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.263 -0.426 . . . . 8.67 110.365 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 70.75 47.26 41.33 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.463 -1.055 . . . . 5.29 110.463 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.5 ttm -59.11 139.64 56.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.944 0.402 . . . . 5.53 111.189 -175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 337' ' ' MET . . . . . 0.641 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 26.2 mmt -74.31 126.98 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 8.4 109.764 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.78 -35.86 91.49 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.406 -0.815 . . . . 5.26 112.63 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.26 -12.01 58.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.67 0.271 . . . . 9.48 111.268 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.641 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 85.5 mt -75.92 -20.83 57.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 7.49 110.642 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.2 179.101 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.408 0.623 . . . . 5.83 109.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 22.5 ttt -62.95 -36.9 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.45 -0.796 . . . . 8.95 110.965 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.52 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 48.5 ttm -75.67 -27.89 58.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 7.75 109.919 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.9 89.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.558 -0.747 . . . . 4.15 110.927 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.33 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.091 0.472 . . . . 5.81 110.865 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.37 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 5.79 110.692 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 323' ' ' MET . 18.9 mt-30 -61.75 -40.41 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 6.05 110.398 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.22 -29.62 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 4.67 111.199 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.21 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 5.62 111.045 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.26 -28.61 62.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 6.31 110.649 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.43 -32.72 74.5 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.945 -0.57 . . . . 5.36 110.745 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 44.4 t -83.1 -23.47 33.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 5.4 110.688 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 52.6 m -77.05 -39.15 51.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.837 -0.62 . . . . 6.3 112.027 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.95 153.2 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.013 -0.365 . . . . 8.67 110.013 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.58 25.81 31.77 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.626 -0.797 . . . . 5.29 111.36 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 92.2 mtp -83.47 149.74 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.787 0.327 . . . . 5.53 110.402 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 337' ' ' MET . . . . . 0.459 ' HB3' ' HG ' ' A' ' 340' ' ' LEU . 47.7 tpp -70.67 127.25 32.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.849 -0.614 . . . . 8.4 110.143 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.87 92.57 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.538 -0.755 . . . . 5.26 112.305 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.23 -22.28 39.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.342 . . . . 9.48 111.869 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 337' ' ' MET . 86.6 mt -71.06 -19.46 62.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 7.49 111.025 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.089 0.471 . . . . 5.4 110.149 179.204 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.125 0.488 . . . . 5.83 109.718 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.3 -36.68 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 8.95 110.513 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 23.1 mmt -79.91 -33.4 39.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.75 -0.659 . . . . 7.75 110.344 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.52 81.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.585 . . . . 4.15 111.085 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.96 85.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.136 -0.484 . . . . 5.81 111.206 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.27 67.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 5.79 110.637 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -66.87 -40.31 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 6.05 111.831 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.9 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.81 0.338 . . . . 4.67 111.125 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.84 -34.32 77.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 5.62 111.036 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.457 HD21 ' HE3' ' A' ' 334' ' ' TRP . 1.3 tm? -59.25 -53.36 59.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 6.31 109.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -64.16 -34.3 77.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.062 -0.517 . . . . 5.36 111.746 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.6 t -75.81 -28.8 58.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.091 0.472 . . . . 5.4 111.027 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 18.6 t -96.23 -44.25 7.35 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.28 -0.418 . . . . 6.3 111.457 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . 0.457 ' HE3' HD21 ' A' ' 330' ' ' LEU . 12.3 m-90 -128.0 144.9 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 8.67 110.961 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 79.95 34.06 31.54 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.612 -0.804 . . . . 5.29 112.731 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 83.6 mtp -70.26 139.35 52.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 5.53 110.431 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.55 133.5 48.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.793 -0.639 . . . . 8.4 111.178 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.72 -36.34 91.11 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.788 -1.096 . . . . 5.26 113.284 -171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 13.8 tpt -67.92 -38.46 82.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 9.48 110.999 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.34 -15.37 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 7.49 110.898 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.315 0.579 . . . . 5.4 110.378 178.545 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.932 0.396 . . . . 5.83 109.96 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 16.7 tpt -73.14 -37.71 66.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 8.95 110.526 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 22.1 mmt -72.65 -37.02 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.728 0.775 . . . . 7.75 109.061 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.37 77.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.415 -1.266 . . . . 4.15 111.525 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -78.8 -37.59 40.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.439 -0.346 . . . . 5.81 111.03 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.78 95.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 5.79 111.549 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.23 -32.44 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 6.05 111.277 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.84 61.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 4.67 110.719 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.95 -22.66 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 5.62 111.089 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.619 ' HG ' ' HZ3' ' A' ' 334' ' ' TRP . 10.2 tt -56.0 -43.37 77.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 6.31 110.647 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -58.52 -35.22 71.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 5.36 111.322 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 41.3 m -87.77 -23.76 23.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.323 -0.399 . . . . 5.4 111.377 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 45.8 m -61.09 -39.9 91.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 6.3 111.286 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . 0.619 ' HZ3' ' HG ' ' A' ' 330' ' ' LEU . 27.3 m-90 -112.85 175.06 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 8.67 110.963 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 83.57 28.06 36.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.865 -0.683 . . . . 5.29 111.521 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 82.4 mtp -95.52 146.18 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.041 0.448 . . . . 5.53 111.027 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 90.6 mtp -73.05 135.23 44.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 8.4 110.984 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.62 -35.89 90.55 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.239 -0.891 . . . . 5.26 112.515 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.3 ttt -56.53 -32.33 65.0 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.39 0.515 . . . . 9.48 112.39 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.0 pp -90.1 -6.84 55.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.884 0.328 . . . . 7.49 111.884 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 5.4 111.448 -176.243 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 5.83 109.226 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 13.4 tpt -63.51 -38.4 90.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 8.95 110.074 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 323' ' ' MET . . . . . 0.577 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 95.8 mmm -77.93 -36.0 49.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.592 -0.731 . . . . 7.75 110.537 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.28 94.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 4.15 111.003 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.43 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 5.81 110.333 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 326' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 330' ' ' LEU . . . -63.66 -41.09 98.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.739 -0.664 . . . . 5.79 111.427 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 327' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.4 mm-40 -60.48 -39.95 89.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.011 0.434 . . . . 6.05 111.09 -177.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -76.49 -38.68 54.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.372 -0.376 . . . . 4.67 111.008 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.02 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 5.62 111.925 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 330' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 326' ' ' ALA . 94.5 mt -56.43 -30.32 62.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 6.31 112.184 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -60.82 -52.5 64.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 5.36 111.409 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.4 t -84.37 -30.49 25.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.359 . . . . 5.4 111.034 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 24.4 m -70.38 -39.9 74.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.05 -0.523 . . . . 6.3 111.897 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -133.53 140.78 47.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 8.67 110.998 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.36 -11.58 65.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.991 -0.623 . . . . 5.29 112.857 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 50.1 tpp -74.53 118.81 17.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.788 0.327 . . . . 5.53 110.622 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.5 mmm -110.4 128.54 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 8.4 109.994 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.09 -38.41 92.38 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.468 -0.787 . . . . 5.26 113.652 -173.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 80.3 mtp -64.56 -39.94 94.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 9.48 112.244 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.26 -17.19 55.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.111 0.482 . . . . 7.49 110.796 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.915 -0.584 . . . . 5.4 110.649 178.674 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 311' ' ' MET . . . . . 0.842 ' HE3' ' HA ' ' A' ' 311' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 121.016 0.436 . . . . 18.28 110.667 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -85.0 85.44 7.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.386 0.612 . . . . 13.7 110.642 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -87.29 48.64 1.68 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.663 0.744 . . . . 15.22 109.75 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.73 15.08 79.52 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.57 -0.741 . . . . 10.35 111.76 -175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -83.63 -32.06 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.738 0.304 . . . . 10.38 111.493 -176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -94.78 20.56 8.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.963 0.411 . . . . 12.47 111.034 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.6 m -73.48 123.62 24.25 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.56 -0.533 . . . . 8.1 109.56 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 58.9 mt -94.22 130.95 42.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 7.23 110.724 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.451 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 4.5 m-20 -66.97 124.32 88.44 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 7.22 109.869 176.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 35.2 Cg_exo -62.52 142.41 90.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.155 2.57 . . . . 5.71 112.508 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -139.75 -51.14 0.5 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.735 -0.666 . . . . 5.83 109.415 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.2 ttp -64.8 -38.79 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 8.95 110.648 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.82 -31.99 65.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.418 0.628 . . . . 7.75 109.623 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.934 -1.03 . . . . 4.15 110.723 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -73.22 -34.82 66.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.955 -0.566 . . . . 5.81 111.255 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.44 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 5.79 111.19 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -68.09 -33.07 73.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 6.05 110.674 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.37 -28.9 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.161 -0.472 . . . . 4.67 111.111 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.48 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 5.62 111.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.21 -29.28 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 6.31 110.964 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.2 -27.94 69.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 5.36 110.752 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.5 t -96.35 -24.24 16.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 5.4 110.816 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 35.4 t -61.54 -51.18 69.67 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.397 -0.365 . . . . 6.3 110.821 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -134.37 172.92 12.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.531 -0.544 . . . . 8.67 109.531 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.97 48.78 4.01 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.346 -1.101 . . . . 5.29 110.346 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 163.57 13.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.59 -0.805 . . . . 5.53 110.342 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 21.0 mmt -81.79 151.25 27.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.872 -0.604 . . . . 8.4 110.43 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.09 -36.29 93.06 Favored Glycine 0 CA--C 1.504 -0.619 0 CA-C-N 114.882 -1.054 . . . . 5.26 113.387 -169.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.32 -13.5 59.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.737 0.303 . . . . 9.48 111.141 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.3 -33.08 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 7.49 110.038 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -99.85 96.28 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 5.4 109.565 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 26.4 m -68.59 -13.25 62.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.469 . . . . 6.52 112.067 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 343' ' ' ARG . 13.0 mmt180 -77.9 89.29 4.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.396 0.617 . . . . 9.18 110.362 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -96.52 143.4 27.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.11 -0.95 . . . . 6.49 109.507 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -96.75 145.56 25.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.843 0.354 . . . . 7.46 110.549 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -116.98 141.55 48.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.068 -0.514 . . . . 6.6 110.385 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 19.7 m -91.26 86.35 6.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.181 -0.463 . . . . 7.65 110.612 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 115.32 173.13 17.48 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.819 -0.705 . . . . 5.86 112.261 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.03 47.93 2.39 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.127 2.551 . . . . 7.33 112.489 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.9 m -79.21 -14.53 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.055 -0.521 . . . . 8.61 111.072 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.01 -43.31 97.56 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.117 -0.564 . . . . 8.38 112.814 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 64.45 89.8 0.09 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.535 0.684 . . . . 7.93 110.734 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -105.76 1.39 26.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.623 -0.717 . . . . 9.69 110.638 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.6 146.68 49.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 9.15 110.324 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -93.49 -26.29 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 10.13 110.098 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.39 117.15 11.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.476 -0.565 . . . . 9.95 109.476 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 100.39 -3.57 56.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.034 -0.826 . . . . 9.34 111.034 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -99.33 112.69 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.91 0.386 . . . . 9.97 110.408 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 85.3 mtp -122.84 116.71 24.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.547 . . . . 12.28 110.199 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.459 -0.781 . . . . 13.7 109.756 178.339 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.932 0.396 . . . . 18.28 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -126.25 33.61 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.713 0.768 . . . . 13.7 109.881 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -81.01 127.29 32.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.202 -0.908 . . . . 15.22 110.331 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 98.73 -0.19 57.86 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.046 -0.597 . . . . 10.35 111.807 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -82.85 -30.77 28.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.941 0.4 . . . . 10.38 110.998 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.0 -6.05 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.161 0.505 . . . . 12.47 110.699 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 20.4 m -73.98 134.03 43.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.834 -0.621 . . . . 8.1 109.968 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 49.6 mm -90.32 -45.98 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 7.23 111.127 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.462 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 8.8 t30 -85.57 124.92 70.7 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.395 -0.366 . . . . 7.22 110.488 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 18.7 Cg_exo -67.33 161.3 43.73 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.356 2.704 . . . . 5.71 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -137.71 -51.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.64 -0.709 . . . . 5.83 109.518 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.07 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 8.95 109.824 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.7 mtp -79.84 -21.55 44.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.721 . . . . 7.75 110.512 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.22 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.637 -0.711 . . . . 4.15 110.908 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.93 -43.35 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 5.81 110.296 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.12 99.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 5.79 110.839 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.62 -36.51 80.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.116 -0.493 . . . . 6.05 111.171 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.99 -29.19 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.35 -0.387 . . . . 4.67 111.09 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.49 89.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 5.62 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.04 -39.96 79.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 6.31 111.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.46 -26.01 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 5.36 110.927 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.4 t -87.71 -35.79 17.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.97 -0.559 . . . . 5.4 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 49.7 m -66.15 -51.09 61.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.488 -0.324 . . . . 6.3 111.403 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -129.54 150.15 51.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 8.67 110.199 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.35 8.83 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.108 -1.597 . . . . 5.29 109.108 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.23 134.6 57.15 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.832 -0.684 . . . . 5.53 111.889 -171.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.7 mmt -74.03 149.05 41.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.079 -0.964 . . . . 8.4 110.65 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -61.97 -35.54 91.54 Favored Glycine 0 CA--C 1.505 -0.542 0 CA-C-N 115.421 -0.808 . . . . 5.26 111.904 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -59.57 -18.41 40.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.446 0.536 . . . . 9.48 112.446 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 -23.59 59.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.752 0.31 . . . . 7.49 110.929 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -66.35 130.79 44.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.069 -0.514 . . . . 5.4 110.73 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 14.5 t -64.25 140.14 58.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.799 -0.637 . . . . 6.52 109.611 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -84.24 123.19 29.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.367 -0.379 . . . . 9.18 110.721 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -90.26 143.42 26.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 6.49 110.448 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -94.35 146.41 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.92 -0.582 . . . . 7.46 110.067 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -88.21 141.8 28.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.439 -0.578 . . . . 6.6 109.439 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.5 m -57.55 122.32 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.685 -0.689 . . . . 7.65 111.445 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.22 28.27 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.901 -0.666 . . . . 5.86 112.01 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.4 170.0 11.6 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.214 2.609 . . . . 7.33 112.394 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.62 -11.14 60.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.512 -0.767 . . . . 8.61 111.256 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -59.9 -31.26 71.64 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.202 -0.454 . . . . 8.38 112.14 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 11.6 m120 73.17 -65.74 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.535 0.734 . . . . 7.93 111.425 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -111.25 -36.18 5.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.632 0.253 . . . . 9.69 110.948 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.8 58.14 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.082 0.467 . . . . 9.15 110.325 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -91.39 -16.75 26.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 10.13 110.195 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -109.4 144.6 37.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 9.95 109.978 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.73 18.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.617 -0.801 . . . . 9.34 111.471 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . 0.459 ' C ' HD21 ' A' ' 358' ' ' ASN . 0.2 OUTLIER -84.37 -41.91 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.252 -0.647 . . . . 9.97 109.252 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 95.1 mmm -118.67 114.67 23.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 12.28 110.076 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.646 -0.692 . . . . 13.7 109.994 -179.253 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.009 0.433 . . . . 18.28 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -98.73 108.78 21.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 13.7 110.058 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.47 106.41 9.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.187 -0.461 . . . . 15.22 110.191 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 102.79 16.38 21.95 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.368 -0.693 . . . . 10.35 111.368 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.21 59.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 10.38 111.659 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -84.31 0.65 48.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 12.47 111.151 -176.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.1 t -81.29 123.35 28.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.346 -0.613 . . . . 8.1 109.346 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 64.9 mt -103.2 -40.69 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 7.23 111.04 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.402 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 95.2 m-20 -96.62 139.14 21.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 7.22 110.895 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 47.6 Cg_exo -56.31 126.2 21.57 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.213 2.609 . . . . 5.71 112.605 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -139.7 -50.05 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.272 0.558 . . . . 5.83 109.898 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.4 ttm -63.41 -37.34 86.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.105 -0.952 . . . . 8.95 110.526 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 25.1 ptm -87.11 -24.36 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 7.75 110.378 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.09 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 4.15 110.743 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.5 88.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 5.81 111.249 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 5.79 110.989 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.13 -22.76 62.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 6.05 111.473 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -72.12 -27.5 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.873 0.368 . . . . 4.67 111.113 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.44 63.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 5.62 111.531 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.16 -42.9 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 6.31 111.379 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.45 -26.69 68.56 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.377 -0.374 . . . . 5.36 111.234 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.3 m -76.89 -24.9 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 5.4 110.726 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 7.2 t -93.7 -48.57 6.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.104 -0.498 . . . . 6.3 110.537 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -132.96 144.97 50.47 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.269 -0.423 . . . . 8.67 110.404 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 88.48 19.18 53.25 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.578 -1.009 . . . . 5.29 110.578 -171.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.68 116.81 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.686 -0.757 . . . . 5.53 110.192 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.642 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 88.6 mtp -78.32 141.03 38.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 8.4 110.459 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.19 -36.61 92.04 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.311 -0.859 . . . . 5.26 112.411 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.2 ptp -64.37 -18.05 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.574 0.213 . . . . 9.48 111.574 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.642 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 79.6 mt -70.67 -23.48 62.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.004 0.43 . . . . 7.49 110.239 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -80.44 110.75 16.19 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.036 -0.727 . . . . 5.4 109.036 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 31.9 m -80.79 87.7 5.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.982 0.42 . . . . 6.52 112.0 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . 0.436 ' HE ' ' HB2' ' A' ' 343' ' ' ARG . 0.0 OUTLIER -99.6 104.31 16.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.632 -0.877 . . . . 9.18 108.632 170.436 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -105.52 143.52 33.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.801 0.334 . . . . 6.49 110.344 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.24 126.11 36.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.024 -0.534 . . . . 7.46 109.997 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.19 131.52 45.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.237 -0.653 . . . . 6.6 109.237 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 12.8 p -84.3 157.72 21.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.422 . . . . 7.65 111.441 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.6 -177.65 19.61 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.836 -0.62 . . . . 5.86 111.756 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -61.36 -15.79 42.88 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.219 2.612 . . . . 7.33 113.158 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 22.0 p -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 8.61 111.769 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.22 89.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.994 -0.622 . . . . 8.38 112.558 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.7 -79.12 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.323 0.649 . . . . 7.93 111.194 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -122.48 177.99 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.395 -0.366 . . . . 9.69 110.841 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 354' ' ' GLN . 2.7 pm0 -82.8 -155.17 0.15 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 9.15 110.732 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . 0.42 ' H ' ' HB2' ' A' ' 354' ' ' GLN . 2.4 m-20 -77.64 -3.68 42.16 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.277 -0.264 . . . . 10.13 111.139 -176.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 67.17 -174.55 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.798 -0.637 . . . . 9.95 111.282 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 85.0 0.54 88.99 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.062 -1.215 . . . . 9.34 110.062 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -99.25 -14.94 19.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.75 -0.725 . . . . 9.97 110.197 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 93.4 mmm -83.47 105.66 14.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.875 -0.602 . . . . 12.28 110.691 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.277 -0.868 . . . . 13.7 109.202 178.321 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.68 -0.489 . . . . 18.28 109.68 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -110.77 97.47 6.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 13.7 110.708 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -113.99 -179.58 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.008 -0.542 . . . . 15.22 110.758 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 81.55 16.37 73.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.093 -0.575 . . . . 10.35 113.893 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -70.93 -42.76 69.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.26 0.53 . . . . 10.38 111.135 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -91.37 21.18 4.65 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.058 -0.519 . . . . 12.47 111.558 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.9 p -65.28 130.7 44.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 8.1 110.84 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.91 26.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.491 . . . . 7.23 111.58 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -94.68 104.57 14.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.606 -0.516 . . . . 7.22 109.606 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.528 ' HB2' ' HB2' ' A' ' 323' ' ' MET . 89.2 Cg_endo -79.23 151.12 23.14 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.669 2.246 . . . . 5.71 112.844 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' ' 324' ' ' ALA . . . -127.4 -42.14 1.68 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.545 -0.752 . . . . 5.83 109.351 177.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 68.2 mtm -70.04 -37.41 75.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.868 -0.605 . . . . 8.95 109.941 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.528 ' HB2' ' HB2' ' A' ' 320' ' ' PRO . 2.1 mpt? -78.0 -27.55 49.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.726 . . . . 7.75 109.505 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 321' ' ' ALA . . . -70.45 -40.48 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.228 -0.896 . . . . 4.15 110.359 178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.41 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.077 -0.511 . . . . 5.81 110.284 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.38 99.06 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.028 -0.533 . . . . 5.79 110.447 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 331' ' ' GLN . 57.4 tp60 -67.21 -41.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 6.05 110.337 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.6 98.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 4.67 110.978 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.75 74.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.522 . . . . 5.62 110.93 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.06 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 6.31 110.449 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 327' ' ' GLN . 20.0 mt-30 -65.5 -26.84 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.916 -0.584 . . . . 5.36 111.326 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.0 m -94.71 -24.39 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.02 0.438 . . . . 5.4 110.71 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 20.1 m -81.61 -42.29 20.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 6.3 111.146 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -125.96 150.15 48.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.008 -0.542 . . . . 8.67 109.611 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.07 44.56 6.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.518 -0.849 . . . . 5.29 111.66 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.6 tpp -70.26 120.54 16.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 5.53 110.359 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.572 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 80.5 mtp -75.39 150.65 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.602 -0.726 . . . . 8.4 110.549 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.64 93.37 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 116.024 -0.535 . . . . 5.26 112.015 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.6 tpp -65.86 -25.61 67.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 9.48 110.936 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.572 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 67.7 mt -88.25 -1.79 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 7.49 111.081 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -107.81 151.91 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 5.4 110.759 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 2.6 p -81.54 139.29 35.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.533 . . . . 6.52 110.166 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -109.34 100.45 9.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.881 0.372 . . . . 9.18 110.947 -173.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -92.38 144.82 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.049 -0.523 . . . . 6.49 110.028 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.79 125.58 29.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 7.46 110.166 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -114.43 132.28 56.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.92 0.391 . . . . 6.6 110.955 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.9 t -103.09 -35.69 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 7.65 110.098 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 119.23 95.01 1.6 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.617 -0.801 . . . . 5.86 112.78 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -92.82 36.17 0.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.276 2.651 . . . . 7.33 111.723 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.2 t -66.81 -24.81 66.22 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.835 -0.62 . . . . 8.61 110.874 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . 0.457 ' O ' ' HB2' ' A' ' 355' ' ' ASN . . . -59.99 -33.67 80.02 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 116.048 -0.524 . . . . 8.38 111.8 175.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 27.97 16.25 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.2 0.6 . . . . 7.93 111.053 174.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 69.78 -58.66 0.52 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.564 0.746 . . . . 9.69 110.832 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -149.19 82.81 1.43 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.272 -1.01 . . . . 9.15 108.272 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' A' ' 351' ' ' GLY . 39.6 t-20 -74.53 -39.47 62.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 10.13 110.981 -171.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 61.34 -166.63 0.21 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.01 -0.541 . . . . 9.95 110.922 -177.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.09 62.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.58 -0.819 . . . . 9.34 112.706 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -91.1 -4.18 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.097 0.406 . . . . 9.97 112.097 -175.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -109.41 121.94 46.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 12.28 110.724 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.373 -0.822 . . . . 13.7 110.291 -179.068 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.529 0.204 . . . . 18.28 110.673 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.14 43.09 29.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.878 -0.601 . . . . 13.7 111.831 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -74.4 116.75 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.095 -0.502 . . . . 15.22 110.155 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 83.55 16.4 68.65 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.989 -0.624 . . . . 10.35 112.3 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.16 71.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 10.38 111.398 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.22 0.6 55.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 12.47 110.706 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 39.3 m -90.24 165.18 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.916 -0.583 . . . . 8.1 110.396 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 50.5 mm -68.26 136.41 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 7.23 110.096 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 12.8 m120 -62.46 133.62 94.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.004 -0.543 . . . . 7.22 111.795 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 21.8 Cg_exo -66.06 163.11 32.6 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.357 2.705 . . . . 5.71 111.585 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -138.82 -40.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.293 . . . . 5.83 110.711 -172.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 17.1 tpt -68.35 -37.75 80.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 8.95 110.182 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.0 mmm -78.37 -28.1 47.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.347 0.594 . . . . 7.75 109.73 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.01 86.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.252 -0.885 . . . . 4.15 110.63 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.99 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.674 . . . . 5.81 111.136 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.45 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 5.79 111.118 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.859 ' HA ' HE21 ' A' ' 327' ' ' GLN . 0.0 OUTLIER -69.1 -30.61 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 6.05 111.272 -178.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.13 61.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 4.67 111.294 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.15 -10.24 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 5.62 111.421 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -70.47 -26.12 63.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.061 -0.518 . . . . 6.31 111.182 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.19 -24.96 67.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.534 0.938 . . . . 5.36 113.534 -171.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 27.9 t -74.27 -35.24 63.77 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.773 -0.371 . . . . 5.4 110.971 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.6 p -90.89 -50.74 5.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.845 0.355 . . . . 6.3 111.265 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -113.69 174.02 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 8.67 110.397 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.36 62.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.527 -0.844 . . . . 5.29 111.278 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -81.89 139.0 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 5.53 110.216 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.9 mmt -100.31 150.81 22.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.216 -0.447 . . . . 8.4 110.596 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.22 92.36 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.474 -0.784 . . . . 5.26 112.156 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 15.2 tpt -59.77 -20.4 56.44 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.875 0.369 . . . . 9.48 111.775 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.06 -32.74 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 7.49 110.725 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . 64.29 108.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.776 0.672 . . . . 5.4 112.035 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 23.2 t -56.7 134.43 54.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.749 -0.659 . . . . 6.52 110.199 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -80.5 97.19 7.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.267 0.556 . . . . 9.18 111.054 -175.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -113.48 162.15 16.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.801 -0.636 . . . . 6.49 110.348 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -119.41 126.43 51.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.526 -0.546 . . . . 7.46 109.526 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . 0.403 ' HA ' ' OE1' ' A' ' 346' ' ' GLN . 15.4 mm-40 -110.0 145.74 36.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.131 0.491 . . . . 6.6 111.343 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.7 t -141.4 142.13 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.525 -0.761 . . . . 7.65 109.006 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 159.32 -85.53 0.12 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.263 -0.97 . . . . 5.86 112.296 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.46 103.1 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.746 2.297 . . . . 7.33 112.219 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.8 m -61.87 -30.28 70.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.056 -0.52 . . . . 8.61 111.194 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.55 -33.4 87.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.005 -0.617 . . . . 8.38 112.336 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.92 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.613 0.244 . . . . 7.93 110.855 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -102.14 107.5 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.183 -0.303 . . . . 9.69 110.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.08 136.22 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.877 -0.601 . . . . 9.15 109.831 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -70.14 -22.84 62.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 10.13 111.57 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.03 128.98 38.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.643 -0.503 . . . . 9.95 109.643 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 120.57 11.9 6.38 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.313 -0.715 . . . . 9.34 111.313 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -122.62 -163.67 1.11 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.195 -0.502 . . . . 9.97 109.983 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -59.07 132.61 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.486 0.184 . . . . 12.28 111.013 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.277 -0.868 . . . . 13.7 111.148 -179.792 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.593 0.235 . . . . 18.28 110.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -143.24 119.96 11.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.727 -0.471 . . . . 13.7 109.727 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -70.47 149.54 47.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.947 -0.39 . . . . 15.22 109.947 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 102.7 -18.8 49.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.809 -0.71 . . . . 10.35 111.51 -174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.32 47.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.093 0.473 . . . . 10.38 110.62 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.15 -4.08 58.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.7 -0.682 . . . . 12.47 111.475 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.1 m -65.69 143.17 57.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.693 -0.231 . . . . 8.1 110.562 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 7.8 tp -104.8 131.74 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.191 0.52 . . . . 7.23 110.933 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -86.05 127.89 60.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.46 -0.57 . . . . 7.22 109.46 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.51 75.16 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.982 2.454 . . . . 5.71 112.448 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . 0.622 ' HA ' ' HB2' ' A' ' 324' ' ' ALA . . . -125.98 -34.09 2.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 5.83 109.248 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.12 -39.04 92.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.106 -0.497 . . . . 8.95 110.103 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 71.0 mtm -78.65 -30.61 46.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.58 -0.736 . . . . 7.75 109.259 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . 0.622 ' HB2' ' HA ' ' A' ' 321' ' ' ALA . . . -64.12 -40.57 96.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.204 -0.907 . . . . 4.15 110.329 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.38 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 5.81 111.077 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.78 80.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 5.79 110.496 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.31 -40.96 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 6.05 110.719 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -67.31 -24.09 65.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.098 -0.501 . . . . 4.67 110.88 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.6 94.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 5.62 110.51 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.82 -42.13 97.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 6.31 109.736 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -26.45 68.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 5.36 110.88 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.0 m -90.69 -36.31 14.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.317 -0.402 . . . . 5.4 110.941 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 36.0 t -76.75 -40.41 48.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.384 -0.371 . . . . 6.3 111.232 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -118.95 168.71 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.263 -0.426 . . . . 8.67 110.365 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 70.75 47.26 41.33 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.463 -1.055 . . . . 5.29 110.463 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.5 ttm -59.11 139.64 56.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.944 0.402 . . . . 5.53 111.189 -175.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.641 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 26.2 mmt -74.31 126.98 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 8.4 109.764 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.78 -35.86 91.49 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.406 -0.815 . . . . 5.26 112.63 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.26 -12.01 58.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.67 0.271 . . . . 9.48 111.268 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.641 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 85.5 mt -75.92 -20.83 57.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 7.49 110.642 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -97.92 113.03 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.2 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 14.2 m -76.33 105.03 7.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.151 -0.477 . . . . 6.52 110.726 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 343' ' ' ARG . 53.0 mtp180 -78.69 103.96 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.333 0.587 . . . . 9.18 110.809 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -90.9 143.75 26.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.339 -0.846 . . . . 6.49 110.323 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -109.92 142.76 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.776 0.322 . . . . 7.46 110.419 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -111.04 132.92 53.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.9 0.381 . . . . 6.6 110.005 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 49.7 m -80.87 -22.34 39.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 7.65 110.637 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 114.7 -98.6 0.88 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.879 -0.677 . . . . 5.86 112.089 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.48 116.28 3.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.91 2.407 . . . . 7.33 112.393 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 2.7 p -69.86 -10.74 59.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 8.61 111.35 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -63.77 -32.37 83.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.163 -0.541 . . . . 8.38 111.772 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 62.9 t30 73.31 17.68 3.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.318 0.58 . . . . 7.93 111.112 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -83.21 63.73 7.35 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.963 0.411 . . . . 9.69 111.171 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 178.95 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.171 -0.922 . . . . 9.15 109.608 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -92.28 -39.27 11.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 10.13 110.239 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 60.68 -79.64 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.72 0.808 . . . . 9.95 112.654 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 96.87 -7.06 64.84 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.157 -0.544 . . . . 9.34 111.946 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -129.44 -3.46 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.782 0.325 . . . . 9.97 110.786 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.6 mmt -121.72 109.57 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 12.28 110.454 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.6 -0.714 . . . . 13.7 109.873 177.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 311' ' ' MET . . . . . 0.634 ' HB3' ' HD2' ' A' ' 313' ' ' PHE . 1.9 mpt? . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 109.687 -0.486 . . . . 18.28 109.687 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -91.81 56.22 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 13.7 109.089 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . 0.634 ' HD2' ' HB3' ' A' ' 311' ' ' MET . 82.5 m-85 -130.3 134.72 47.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.279 -0.873 . . . . 15.22 109.974 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 72.65 15.88 77.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.984 -0.626 . . . . 10.35 112.263 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -74.17 -30.05 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.293 . . . . 10.38 111.506 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -101.64 -15.47 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 12.47 110.622 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 39.1 m -91.2 131.07 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 8.1 111.081 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . 0.587 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 47.0 mm 72.92 -61.21 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 123.186 0.594 . . . . 7.23 111.483 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -96.21 101.39 8.5 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.561 0.22 . . . . 7.22 110.987 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.587 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 5.7 Cg_exo -79.26 -65.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.636 2.224 . . . . 5.71 111.996 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . 174.84 -34.39 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.408 0.623 . . . . 5.83 109.37 -176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 22.5 ttt -62.95 -36.9 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.45 -0.796 . . . . 8.95 110.965 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.52 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 48.5 ttm -75.67 -27.89 58.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 7.75 109.919 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.9 89.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.558 -0.747 . . . . 4.15 110.927 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.33 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.091 0.472 . . . . 5.81 110.865 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.37 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 5.79 110.692 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.52 ' HG3' ' O ' ' A' ' 323' ' ' MET . 18.9 mt-30 -61.75 -40.41 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 6.05 110.398 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.22 -29.62 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 4.67 111.199 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.21 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 5.62 111.045 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.26 -28.61 62.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 6.31 110.649 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.43 -32.72 74.5 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.945 -0.57 . . . . 5.36 110.745 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 44.4 t -83.1 -23.47 33.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 5.4 110.688 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 52.6 m -77.05 -39.15 51.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.837 -0.62 . . . . 6.3 112.027 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.95 153.2 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.013 -0.365 . . . . 8.67 110.013 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.58 25.81 31.77 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.626 -0.797 . . . . 5.29 111.36 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 92.2 mtp -83.47 149.74 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.787 0.327 . . . . 5.53 110.402 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 337' ' ' MET . . . . . 0.459 ' HB3' ' HG ' ' A' ' 340' ' ' LEU . 47.7 tpp -70.67 127.25 32.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.849 -0.614 . . . . 8.4 110.143 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.87 92.57 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.538 -0.755 . . . . 5.26 112.305 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.23 -22.28 39.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.342 . . . . 9.48 111.869 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . 0.459 ' HG ' ' HB3' ' A' ' 337' ' ' MET . 86.6 mt -71.06 -19.46 62.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 7.49 111.025 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -108.71 25.01 12.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.089 0.471 . . . . 5.4 110.149 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 9.0 t -128.58 86.07 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 6.52 110.264 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -85.65 110.12 19.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.368 -0.605 . . . . 9.18 109.368 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -90.36 143.26 26.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 6.49 111.116 -173.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -99.55 140.93 33.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.54 -0.541 . . . . 7.46 109.54 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 150.45 21.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.221 -0.288 . . . . 6.6 110.221 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 48.9 m 64.12 34.91 10.73 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.67 0.606 . . . . 7.65 110.609 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -66.75 145.65 47.2 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.734 -0.666 . . . . 5.86 112.748 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.12 -27.65 79.09 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.053 2.502 . . . . 7.33 112.315 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 44.4 t -81.89 -40.41 22.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 8.61 110.002 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -65.2 -35.53 91.77 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.852 -0.613 . . . . 8.38 112.623 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -75.11 131.5 40.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.809 0.338 . . . . 7.93 110.661 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.97 0.75 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.671 -0.492 . . . . 9.69 109.671 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 68.49 -166.76 0.19 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.281 -0.872 . . . . 9.15 111.32 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -65.36 -37.51 87.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 10.13 111.089 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.35 113.06 6.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.39 0.614 . . . . 9.95 110.703 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 113.04 -7.13 25.37 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.416 -0.811 . . . . 9.34 111.474 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -133.89 113.67 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 9.97 109.439 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 38.2 tpp -72.02 104.51 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.441 0.639 . . . . 12.28 110.628 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.348 -0.834 . . . . 13.7 109.399 -178.882 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 109.679 -0.489 . . . . 18.28 109.679 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -52.39 149.4 5.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.104 -0.332 . . . . 13.7 110.104 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.01 61.92 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.268 0.47 . . . . 15.22 112.268 -170.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.8 16.9 79.17 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.976 -0.631 . . . . 10.35 112.638 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.1 -29.98 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.089 0.403 . . . . 10.38 112.089 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.1 -15.73 46.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 12.47 110.79 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 33.1 m -91.79 123.15 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.458 -0.337 . . . . 8.1 110.981 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 31.2 pt -119.69 -17.35 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.923 0.392 . . . . 7.23 110.759 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -96.66 116.1 65.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.224 -0.444 . . . . 7.22 110.333 178.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -68.44 102.55 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.893 2.395 . . . . 5.71 111.978 177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -144.65 -55.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.125 0.488 . . . . 5.83 109.718 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.3 -36.68 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 8.95 110.513 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 23.1 mmt -79.91 -33.4 39.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.75 -0.659 . . . . 7.75 110.344 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.52 81.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.585 . . . . 4.15 111.085 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.96 85.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.136 -0.484 . . . . 5.81 111.206 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.27 67.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 5.79 110.637 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -66.87 -40.31 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 6.05 111.831 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.9 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.81 0.338 . . . . 4.67 111.125 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.84 -34.32 77.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 5.62 111.036 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.457 HD21 ' HE3' ' A' ' 334' ' ' TRP . 1.3 tm? -59.25 -53.36 59.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 6.31 109.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -64.16 -34.3 77.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.062 -0.517 . . . . 5.36 111.746 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.6 t -75.81 -28.8 58.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.091 0.472 . . . . 5.4 111.027 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 18.6 t -96.23 -44.25 7.35 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.28 -0.418 . . . . 6.3 111.457 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . 0.457 ' HE3' HD21 ' A' ' 330' ' ' LEU . 12.3 m-90 -128.0 144.9 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 8.67 110.961 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 79.95 34.06 31.54 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.612 -0.804 . . . . 5.29 112.731 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 83.6 mtp -70.26 139.35 52.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 5.53 110.431 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.55 133.5 48.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.793 -0.639 . . . . 8.4 111.178 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.72 -36.34 91.11 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.788 -1.096 . . . . 5.26 113.284 -171.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 13.8 tpt -67.92 -38.46 82.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 9.48 110.999 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.34 -15.37 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 7.49 110.898 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -79.9 75.67 6.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.315 0.579 . . . . 5.4 110.378 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 24.3 p -89.95 0.13 57.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.742 -0.663 . . . . 6.52 110.715 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -72.99 103.35 3.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.926 -0.579 . . . . 9.18 110.582 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.58 143.14 39.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.53 -0.759 . . . . 6.49 109.418 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -76.97 128.14 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.995 0.426 . . . . 7.46 110.524 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -131.08 132.8 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.24 -0.436 . . . . 6.6 110.429 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 32.1 t -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 7.65 110.559 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -176.35 -103.16 0.16 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.531 -0.627 . . . . 5.86 111.531 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.87 48.04 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.814 2.343 . . . . 7.33 111.316 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 5.8 m -82.49 -46.04 13.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.393 -0.821 . . . . 8.61 111.023 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -65.81 -52.78 35.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 8.38 111.954 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . 0.485 ' HB3' ' HB2' ' A' ' 355' ' ' ASN . 17.2 m120 -97.99 101.49 12.99 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.041 -0.355 . . . . 7.93 110.041 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -65.67 -56.86 9.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.692 -0.686 . . . . 9.69 111.22 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -109.15 56.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.09 0.472 . . . . 9.15 111.615 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 352' ' ' ASN . 45.2 t30 -85.59 -38.26 18.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.361 -1.348 . . . . 10.13 107.361 166.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -68.31 130.36 42.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.769 -1.105 . . . . 9.95 109.066 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 120.44 -8.52 11.11 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.555 -1.018 . . . . 9.34 110.555 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -92.39 89.43 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.483 -0.932 . . . . 9.97 108.483 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 66.4 mtm -108.8 141.58 40.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.964 -0.562 . . . . 12.28 111.064 -172.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 C--O 1.247 0.939 0 N-CA-C 109.244 -0.65 . . . . 13.7 109.244 177.964 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 15.6 tmm? . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.69 -0.485 . . . . 18.28 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -147.14 93.91 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.567 -0.288 . . . . 13.7 110.992 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 15.0 t80 72.53 152.56 0.12 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.685 -0.689 . . . . 15.22 111.501 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 84.9 -18.81 24.66 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.247 -0.501 . . . . 10.35 113.546 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.68 46.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.076 0.465 . . . . 10.38 111.396 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -78.85 -8.56 58.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 12.47 111.242 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.6 m -73.03 147.37 45.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.177 -0.465 . . . . 8.1 111.49 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 47.8 mm -91.75 108.86 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.867 -0.606 . . . . 7.23 110.006 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . 0.479 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 13.2 m120 -65.56 128.63 93.96 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 7.22 111.261 -175.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 14.7 Cg_exo -69.6 126.27 13.21 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.012 2.474 . . . . 5.71 111.92 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -178.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 5.83 109.96 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 16.7 tpt -73.14 -37.71 66.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 8.95 110.526 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 22.1 mmt -72.65 -37.02 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.728 0.775 . . . . 7.75 109.061 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.37 77.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.415 -1.266 . . . . 4.15 111.525 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -78.8 -37.59 40.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.439 -0.346 . . . . 5.81 111.03 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.78 95.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 5.79 111.549 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.23 -32.44 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 6.05 111.277 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.84 61.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 4.67 110.719 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.95 -22.66 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 5.62 111.089 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.619 ' HG ' ' HZ3' ' A' ' 334' ' ' TRP . 10.2 tt -56.0 -43.37 77.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 6.31 110.647 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -58.52 -35.22 71.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 5.36 111.322 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 41.3 m -87.77 -23.76 23.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.323 -0.399 . . . . 5.4 111.377 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 45.8 m -61.09 -39.9 91.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 6.3 111.286 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . 0.619 ' HZ3' ' HG ' ' A' ' 330' ' ' LEU . 27.3 m-90 -112.85 175.06 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 8.67 110.963 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 83.57 28.06 36.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.865 -0.683 . . . . 5.29 111.521 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 82.4 mtp -95.52 146.18 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.041 0.448 . . . . 5.53 111.027 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 90.6 mtp -73.05 135.23 44.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 8.4 110.984 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.62 -35.89 90.55 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.239 -0.891 . . . . 5.26 112.515 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.3 ttt -56.53 -32.33 65.0 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.39 0.515 . . . . 9.48 112.39 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.0 pp -90.1 -6.84 55.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.884 0.328 . . . . 7.49 111.884 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -113.01 -47.22 3.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 5.4 111.448 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 47.4 m -77.28 139.95 39.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 6.52 110.762 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -83.43 124.91 31.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.979 -0.555 . . . . 9.18 110.248 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -116.4 142.53 46.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.382 -0.599 . . . . 6.49 109.382 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.43 127.33 37.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.356 0.598 . . . . 7.46 110.679 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.09 132.82 42.5 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.132 -0.692 . . . . 6.6 109.132 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 54.7 p -146.48 157.46 43.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.857 0.36 . . . . 7.65 111.276 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -86.55 151.07 23.9 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.004 -0.617 . . . . 5.86 111.662 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . 0.439 ' HG2' ' HB3' ' A' ' 352' ' ' ASN . 55.7 Cg_endo -71.48 123.49 9.54 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.592 2.195 . . . . 7.33 112.141 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 51.1 m -66.53 -29.41 69.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.643 . . . . 8.61 110.346 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.65 87.79 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.718 -0.674 . . . . 8.38 111.957 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . 0.439 ' HB3' ' HG2' ' A' ' 349' ' ' PRO . 3.7 t-20 -114.34 57.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.263 0.554 . . . . 7.93 109.639 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -88.16 59.42 5.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.53 0.681 . . . . 9.69 109.734 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . 0.422 ' OE1' ' HB2' ' A' ' 356' ' ' GLN . 28.6 pt20 -169.97 151.38 4.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.386 -0.824 . . . . 9.15 109.764 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.54 -1.56 38.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.395 -0.595 . . . . 10.13 109.395 173.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . 0.422 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . 26.3 mt-30 -64.56 132.03 48.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.349 -0.842 . . . . 9.95 109.75 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 117.86 -7.7 15.05 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.764 -0.934 . . . . 9.34 110.764 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -61.24 -57.8 10.92 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.363 -0.606 . . . . 9.97 109.363 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 13.6 tpt -85.98 122.03 29.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 12.28 109.461 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.806 -0.616 . . . . 13.7 110.043 -179.273 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.687 -0.486 . . . . 18.28 109.687 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 20.9 m120 44.27 88.63 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.762 0.663 . . . . 13.7 112.723 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -75.54 -80.66 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.647 -0.501 . . . . 15.22 109.647 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.87 -15.4 3.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.104 -0.57 . . . . 10.35 113.343 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.62 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 10.38 111.451 -177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -80.69 -22.7 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.917 -0.583 . . . . 12.47 110.925 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.6 m -90.28 122.94 33.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.89 -0.411 . . . . 8.1 109.89 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 48.8 mm -103.61 128.14 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.205 -0.294 . . . . 7.23 110.205 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -92.55 113.23 58.86 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.184 -0.462 . . . . 7.22 110.008 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.47 93.9 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.938 2.425 . . . . 5.71 112.27 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -135.5 -60.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.226 -0.657 . . . . 5.83 109.226 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 13.4 tpt -63.51 -38.4 90.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 8.95 110.074 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 323' ' ' MET . . . . . 0.577 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 95.8 mmm -77.93 -36.0 49.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.592 -0.731 . . . . 7.75 110.537 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.28 94.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 4.15 111.003 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.43 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 5.81 110.333 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 326' ' ' ALA . . . . . 0.48 ' O ' ' HG ' ' A' ' 330' ' ' LEU . . . -63.66 -41.09 98.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.739 -0.664 . . . . 5.79 111.427 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 327' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.4 mm-40 -60.48 -39.95 89.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.011 0.434 . . . . 6.05 111.09 -177.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -76.49 -38.68 54.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.372 -0.376 . . . . 4.67 111.008 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.02 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 5.62 111.925 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 330' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 326' ' ' ALA . 94.5 mt -56.43 -30.32 62.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 6.31 112.184 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -60.82 -52.5 64.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 5.36 111.409 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.4 t -84.37 -30.49 25.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.359 . . . . 5.4 111.034 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 24.4 m -70.38 -39.9 74.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.05 -0.523 . . . . 6.3 111.897 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -133.53 140.78 47.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 8.67 110.998 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.36 -11.58 65.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.991 -0.623 . . . . 5.29 112.857 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 50.1 tpp -74.53 118.81 17.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.788 0.327 . . . . 5.53 110.622 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.5 mmm -110.4 128.54 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 8.4 109.994 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.09 -38.41 92.38 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.468 -0.787 . . . . 5.26 113.652 -173.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 80.3 mtp -64.56 -39.94 94.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 9.48 112.244 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.26 -17.19 55.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.111 0.482 . . . . 7.49 110.796 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -88.64 -9.86 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.915 -0.584 . . . . 5.4 110.649 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 42.4 m -148.92 79.71 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 6.52 110.524 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 343' ' ' ARG . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 343' ' ' ARG . 1.2 tpm_? -79.01 96.79 5.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.343 0.592 . . . . 9.18 110.685 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.0 148.26 25.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.606 -0.724 . . . . 6.49 109.741 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.5 125.78 29.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.729 -0.841 . . . . 7.46 108.729 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -90.63 132.92 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.154 0.502 . . . . 6.6 111.606 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 24.3 m -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.627 -0.715 . . . . 7.65 109.809 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -141.07 109.61 0.61 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.431 -0.89 . . . . 5.86 112.777 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.89 9.8 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 123.083 2.522 . . . . 7.33 111.606 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.8 m -61.59 -35.99 79.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.325 -0.852 . . . . 8.61 110.988 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.83 -53.5 34.02 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.855 -0.688 . . . . 8.38 112.029 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 64.46 88.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.305 0.574 . . . . 7.93 110.789 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -82.54 69.7 9.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.346 0.593 . . . . 9.69 109.833 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -118.47 56.18 0.89 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.754 -0.657 . . . . 9.15 110.998 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -73.19 -38.21 66.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.424 -0.954 . . . . 10.13 108.424 172.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -122.29 -11.07 8.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.069 -0.969 . . . . 9.95 109.171 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 104.7 11.94 29.46 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.539 -0.755 . . . . 9.34 111.251 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 65.9 t30 71.7 151.6 0.11 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.593 0.757 . . . . 9.97 110.62 -175.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -122.37 129.09 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.81 0.338 . . . . 12.28 110.744 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.26 -0.876 . . . . 13.7 110.041 179.462 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.415 -0.587 . . . . 5.4699999999999998 109.415 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.2 ttp -64.8 -38.79 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 8.6300000000000008 110.648 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.82 -31.99 65.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.418 0.628 . . . . 7.3200000000000003 109.623 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.934 -1.03 . . . . 3.8700000000000001 110.723 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -73.22 -34.82 66.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.955 -0.566 . . . . 5.4000000000000004 111.255 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.44 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 5.3899999999999997 111.19 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -68.09 -33.07 73.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 5.5199999999999996 110.674 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.37 -28.9 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.161 -0.472 . . . . 4.1600000000000001 111.111 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.48 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 5.1399999999999997 111.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.21 -29.28 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 5.96 110.964 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -65.2 -27.94 69.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 5.2599999999999998 110.752 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.5 t -96.35 -24.24 16.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 5.25 110.816 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 35.4 t -61.54 -51.18 69.67 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.397 -0.365 . . . . 6.1799999999999997 110.821 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -134.37 172.92 12.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.531 -0.544 . . . . 7.9699999999999998 109.531 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.97 48.78 4.01 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.346 -1.101 . . . . 4.6799999999999997 110.346 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 163.57 13.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.59 -0.805 . . . . 5.0800000000000001 110.342 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 21.0 mmt -81.79 151.25 27.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.872 -0.604 . . . . 8.0600000000000005 110.43 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.09 -36.29 93.06 Favored Glycine 0 CA--C 1.504 -0.619 0 CA-C-N 114.882 -1.054 . . . . 4.6399999999999997 113.387 -169.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.32 -13.5 59.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.737 0.303 . . . . 9.1300000000000008 111.141 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.3 -33.08 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 7.0700000000000003 110.038 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 5.4000000000000004 109.565 176.689 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 109.518 -0.549 . . . . 5.4699999999999998 109.518 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.07 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 8.6300000000000008 109.824 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.7 mtp -79.84 -21.55 44.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.721 . . . . 7.3200000000000003 110.512 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.22 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.637 -0.711 . . . . 3.8700000000000001 110.908 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.93 -43.35 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 5.4000000000000004 110.296 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.12 99.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 5.3899999999999997 110.839 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.62 -36.51 80.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.116 -0.493 . . . . 5.5199999999999996 111.171 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.99 -29.19 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.35 -0.387 . . . . 4.1600000000000001 111.09 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.49 89.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 5.1399999999999997 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.04 -39.96 79.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 5.96 111.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.46 -26.01 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 5.2599999999999998 110.927 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.4 t -87.71 -35.79 17.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.97 -0.559 . . . . 5.25 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 49.7 m -66.15 -51.09 61.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.488 -0.324 . . . . 6.1799999999999997 111.403 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -129.54 150.15 51.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 7.9699999999999998 110.199 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.35 8.83 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.108 -1.597 . . . . 4.6799999999999997 109.108 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.23 134.6 57.15 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.832 -0.684 . . . . 5.0800000000000001 111.889 -171.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.7 mmt -74.03 149.05 41.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.079 -0.964 . . . . 8.0600000000000005 110.65 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -61.97 -35.54 91.54 Favored Glycine 0 CA--C 1.505 -0.542 0 CA-C-N 115.421 -0.808 . . . . 4.6399999999999997 111.904 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -59.57 -18.41 40.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.446 0.536 . . . . 9.1300000000000008 112.446 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 -23.59 59.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.752 0.31 . . . . 7.0700000000000003 110.929 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.069 -0.514 . . . . 5.4000000000000004 110.73 179.723 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.272 0.558 . . . . 5.4699999999999998 109.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.4 ttm -63.41 -37.34 86.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.105 -0.952 . . . . 8.6300000000000008 110.526 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 25.1 ptm -87.11 -24.36 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 7.3200000000000003 110.378 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.09 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 3.8700000000000001 110.743 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.5 88.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 5.4000000000000004 111.249 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 5.3899999999999997 110.989 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.13 -22.76 62.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 5.5199999999999996 111.473 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -72.12 -27.5 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.873 0.368 . . . . 4.1600000000000001 111.113 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.44 63.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 5.1399999999999997 111.531 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.16 -42.9 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 5.96 111.379 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.45 -26.69 68.56 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.377 -0.374 . . . . 5.2599999999999998 111.234 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.3 m -76.89 -24.9 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 5.25 110.726 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 7.2 t -93.7 -48.57 6.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.104 -0.498 . . . . 6.1799999999999997 110.537 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -132.96 144.97 50.47 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.269 -0.423 . . . . 7.9699999999999998 110.404 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 88.48 19.18 53.25 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.578 -1.009 . . . . 4.6799999999999997 110.578 -171.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.68 116.81 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.686 -0.757 . . . . 5.0800000000000001 110.192 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 337' ' ' MET . . . . . 0.652 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 88.6 mtp -78.32 141.03 38.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 8.0600000000000005 110.459 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.19 -36.61 92.04 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.311 -0.859 . . . . 4.6399999999999997 112.411 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.2 ptp -64.37 -18.05 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.574 0.213 . . . . 9.1300000000000008 111.574 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.652 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 79.6 mt -70.67 -23.48 62.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.004 0.43 . . . . 7.0700000000000003 110.239 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 109.036 -0.727 . . . . 5.4000000000000004 109.036 174.519 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.351 -0.611 . . . . 5.4699999999999998 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 68.2 mtm -70.04 -37.41 75.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.868 -0.605 . . . . 8.6300000000000008 109.941 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.0 -27.55 49.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.726 . . . . 7.3200000000000003 109.505 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.48 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.228 -0.896 . . . . 3.8700000000000001 110.359 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.41 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.077 -0.511 . . . . 5.4000000000000004 110.284 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.38 99.06 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.028 -0.533 . . . . 5.3899999999999997 110.447 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 331' ' ' GLN . 57.4 tp60 -67.21 -41.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 5.5199999999999996 110.337 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.6 98.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 4.1600000000000001 110.978 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.75 74.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.522 . . . . 5.1399999999999997 110.93 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.06 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 5.96 110.449 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 327' ' ' GLN . 90.7 mt-30 -65.5 -26.84 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.916 -0.584 . . . . 5.2599999999999998 111.326 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.0 m -94.71 -24.39 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.02 0.438 . . . . 5.25 110.71 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 20.1 m -81.61 -42.29 20.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 6.1799999999999997 111.146 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -125.96 150.15 48.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.008 -0.542 . . . . 7.9699999999999998 109.611 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.07 44.56 6.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.518 -0.849 . . . . 4.6799999999999997 111.66 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.6 tpp -70.26 120.54 16.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 5.0800000000000001 110.359 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 337' ' ' MET . . . . . 0.589 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 80.5 mtp -75.39 150.65 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.602 -0.726 . . . . 8.0600000000000005 110.549 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.64 93.37 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 116.024 -0.535 . . . . 4.6399999999999997 112.015 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.6 tpp -65.86 -25.61 67.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 9.1300000000000008 110.936 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 67.7 mt -88.25 -1.79 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 7.0700000000000003 111.081 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 5.4000000000000004 110.759 -178.617 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.714 0.293 . . . . 5.4699999999999998 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 17.1 tpt -68.35 -37.75 80.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 8.6300000000000008 110.182 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.0 mmm -78.37 -28.1 47.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.347 0.594 . . . . 7.3200000000000003 109.73 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.01 86.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.252 -0.885 . . . . 3.8700000000000001 110.63 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.99 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.674 . . . . 5.4000000000000004 111.136 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.45 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 5.3899999999999997 111.118 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -69.1 -30.61 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 5.5199999999999996 111.272 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.13 61.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 4.1600000000000001 111.294 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.15 -10.24 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 5.1399999999999997 111.421 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -70.47 -26.12 63.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.061 -0.518 . . . . 5.96 111.182 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.19 -24.96 67.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.534 0.938 . . . . 5.2599999999999998 113.534 -171.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 27.9 t -74.27 -35.24 63.77 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.773 -0.371 . . . . 5.25 110.971 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.6 p -90.89 -50.74 5.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.845 0.355 . . . . 6.1799999999999997 111.265 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -113.69 174.02 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 7.9699999999999998 110.397 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.36 62.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.527 -0.844 . . . . 4.6799999999999997 111.278 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -81.89 139.0 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 5.0800000000000001 110.216 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.9 mmt -100.31 150.81 22.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.216 -0.447 . . . . 8.0600000000000005 110.596 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.22 92.36 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.474 -0.784 . . . . 4.6399999999999997 112.156 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 15.2 tpt -59.77 -20.4 56.44 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.875 0.369 . . . . 9.1300000000000008 111.775 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.06 -32.74 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 7.0700000000000003 110.725 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.29 0 O-C-N 123.776 0.672 . . . . 5.4000000000000004 112.035 -179.447 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 321' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 324' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.248 -0.649 . . . . 5.4699999999999998 109.248 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.12 -39.04 92.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.106 -0.497 . . . . 8.6300000000000008 110.103 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 71.0 mtm -78.65 -30.61 46.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.58 -0.736 . . . . 7.3200000000000003 109.259 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 324' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . . . -64.12 -40.57 96.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.204 -0.907 . . . . 3.8700000000000001 110.329 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.38 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 5.4000000000000004 111.077 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.78 80.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 5.3899999999999997 110.496 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.31 -40.96 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 5.5199999999999996 110.719 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -67.31 -24.09 65.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.098 -0.501 . . . . 4.1600000000000001 110.88 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.6 94.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 5.1399999999999997 110.51 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.82 -42.13 97.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 5.96 109.736 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -26.45 68.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 5.2599999999999998 110.88 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.0 m -90.69 -36.31 14.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.317 -0.402 . . . . 5.25 110.941 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 36.0 t -76.75 -40.41 48.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.384 -0.371 . . . . 6.1799999999999997 111.232 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -118.95 168.71 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.263 -0.426 . . . . 7.9699999999999998 110.365 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 70.75 47.26 41.33 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.463 -1.055 . . . . 4.6799999999999997 110.463 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.5 ttm -59.11 139.64 56.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.944 0.402 . . . . 5.0800000000000001 111.189 -175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 337' ' ' MET . . . . . 0.649 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 26.2 mmt -74.31 126.98 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 8.0600000000000005 109.764 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.78 -35.86 91.49 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.406 -0.815 . . . . 4.6399999999999997 112.63 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.26 -12.01 58.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.67 0.271 . . . . 9.1300000000000008 111.268 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 85.5 mt -75.92 -20.83 57.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 7.0700000000000003 110.642 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 5.4000000000000004 110.2 179.101 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.408 0.623 . . . . 5.4699999999999998 109.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 22.5 ttt -62.95 -36.9 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.45 -0.796 . . . . 8.6300000000000008 110.965 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.529 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 48.5 ttm -75.67 -27.89 58.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 7.3200000000000003 109.919 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.9 89.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.558 -0.747 . . . . 3.8700000000000001 110.927 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.33 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.091 0.472 . . . . 5.4000000000000004 110.865 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.37 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 5.3899999999999997 110.692 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 323' ' ' MET . 84.4 mt-30 -61.75 -40.41 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 5.5199999999999996 110.398 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.22 -29.62 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 4.1600000000000001 111.199 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.21 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 5.1399999999999997 111.045 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.26 -28.61 62.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 5.96 110.649 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.43 -32.72 74.5 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.945 -0.57 . . . . 5.2599999999999998 110.745 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 44.4 t -83.1 -23.47 33.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 5.25 110.688 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 52.6 m -77.05 -39.15 51.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.837 -0.62 . . . . 6.1799999999999997 112.027 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.95 153.2 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.013 -0.365 . . . . 7.9699999999999998 110.013 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.58 25.81 31.77 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.626 -0.797 . . . . 4.6799999999999997 111.36 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 92.2 mtp -83.47 149.74 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.787 0.327 . . . . 5.0800000000000001 110.402 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 337' ' ' MET . . . . . 0.456 ' HB3' ' HG ' ' A' ' 340' ' ' LEU . 47.7 tpp -70.67 127.25 32.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.849 -0.614 . . . . 8.0600000000000005 110.143 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.87 92.57 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.538 -0.755 . . . . 4.6399999999999997 112.305 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.23 -22.28 39.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.342 . . . . 9.1300000000000008 111.869 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 340' ' ' LEU . . . . . 0.456 ' HG ' ' HB3' ' A' ' 337' ' ' MET . 86.6 mt -71.06 -19.46 62.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 7.0700000000000003 111.025 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.089 0.471 . . . . 5.4000000000000004 110.149 179.204 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.125 0.488 . . . . 5.4699999999999998 109.718 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.3 -36.68 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 8.6300000000000008 110.513 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 23.1 mmt -79.91 -33.4 39.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.75 -0.659 . . . . 7.3200000000000003 110.344 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.52 81.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.585 . . . . 3.8700000000000001 111.085 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.96 85.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.136 -0.484 . . . . 5.4000000000000004 111.206 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.27 67.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 5.3899999999999997 110.637 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -66.87 -40.31 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 5.5199999999999996 111.831 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.9 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.81 0.338 . . . . 4.1600000000000001 111.125 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.84 -34.32 77.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 5.1399999999999997 111.036 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.452 HD22 ' CE3' ' A' ' 334' ' ' TRP . 1.3 tm? -59.25 -53.36 59.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 5.96 109.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.16 -34.3 77.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.062 -0.517 . . . . 5.2599999999999998 111.746 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.6 t -75.81 -28.8 58.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.091 0.472 . . . . 5.25 111.027 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 18.6 t -96.23 -44.25 7.35 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.28 -0.418 . . . . 6.1799999999999997 111.457 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 334' ' ' TRP . . . . . 0.452 ' CE3' HD22 ' A' ' 330' ' ' LEU . 12.3 m-90 -128.0 144.9 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 7.9699999999999998 110.961 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 79.95 34.06 31.54 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.612 -0.804 . . . . 4.6799999999999997 112.731 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 83.6 mtp -70.26 139.35 52.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 5.0800000000000001 110.431 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.55 133.5 48.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.793 -0.639 . . . . 8.0600000000000005 111.178 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.72 -36.34 91.11 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.788 -1.096 . . . . 4.6399999999999997 113.284 -171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 13.8 tpt -67.92 -38.46 82.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 9.1300000000000008 110.999 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.34 -15.37 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 7.0700000000000003 110.898 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.315 0.579 . . . . 5.4000000000000004 110.378 178.545 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.932 0.396 . . . . 5.4699999999999998 109.96 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 16.7 tpt -73.14 -37.71 66.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 8.6300000000000008 110.526 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 22.1 mmt -72.65 -37.02 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.728 0.775 . . . . 7.3200000000000003 109.061 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.37 77.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.415 -1.266 . . . . 3.8700000000000001 111.525 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -78.8 -37.59 40.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.439 -0.346 . . . . 5.4000000000000004 111.03 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.78 95.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 5.3899999999999997 111.549 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.23 -32.44 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 5.5199999999999996 111.277 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.84 61.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 4.1600000000000001 110.719 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.95 -22.66 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 5.1399999999999997 111.089 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.627 ' HG ' ' HZ3' ' A' ' 334' ' ' TRP . 10.2 tt -56.0 -43.37 77.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 5.96 110.647 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -58.52 -35.22 71.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 5.2599999999999998 111.322 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 41.3 m -87.77 -23.76 23.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.323 -0.399 . . . . 5.25 111.377 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 45.8 m -61.09 -39.9 91.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 6.1799999999999997 111.286 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 334' ' ' TRP . . . . . 0.627 ' HZ3' ' HG ' ' A' ' 330' ' ' LEU . 27.3 m-90 -112.85 175.06 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 7.9699999999999998 110.963 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 83.57 28.06 36.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.865 -0.683 . . . . 4.6799999999999997 111.521 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 82.4 mtp -95.52 146.18 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.041 0.448 . . . . 5.0800000000000001 111.027 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 90.6 mtp -73.05 135.23 44.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 8.0600000000000005 110.984 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.62 -35.89 90.55 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.239 -0.891 . . . . 4.6399999999999997 112.515 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.3 ttt -56.53 -32.33 65.0 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.39 0.515 . . . . 9.1300000000000008 112.39 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.0 pp -90.1 -6.84 55.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.884 0.328 . . . . 7.0700000000000003 111.884 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 5.4000000000000004 111.448 -176.243 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 5.4699999999999998 109.226 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 13.4 tpt -63.51 -38.4 90.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 8.6300000000000008 110.074 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 323' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 95.8 mmm -77.93 -36.0 49.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.592 -0.731 . . . . 7.3200000000000003 110.537 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.28 94.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 3.8700000000000001 111.003 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.43 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 5.4000000000000004 110.333 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 326' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 330' ' ' LEU . . . -63.66 -41.09 98.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.739 -0.664 . . . . 5.3899999999999997 111.427 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 327' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.4 mm-40 -60.48 -39.95 89.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.011 0.434 . . . . 5.5199999999999996 111.09 -177.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -76.49 -38.68 54.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.372 -0.376 . . . . 4.1600000000000001 111.008 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.02 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 5.1399999999999997 111.925 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 330' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 326' ' ' ALA . 94.5 mt -56.43 -30.32 62.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 5.96 112.184 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -60.82 -52.5 64.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 5.2599999999999998 111.409 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.4 t -84.37 -30.49 25.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.359 . . . . 5.25 111.034 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 24.4 m -70.38 -39.9 74.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.05 -0.523 . . . . 6.1799999999999997 111.897 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -133.53 140.78 47.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 7.9699999999999998 110.998 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.36 -11.58 65.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.991 -0.623 . . . . 4.6799999999999997 112.857 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 50.1 tpp -74.53 118.81 17.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.788 0.327 . . . . 5.0800000000000001 110.622 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.5 mmm -110.4 128.54 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 8.0600000000000005 109.994 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.09 -38.41 92.38 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.468 -0.787 . . . . 4.6399999999999997 113.652 -173.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 80.3 mtp -64.56 -39.94 94.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 9.1300000000000008 112.244 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.26 -17.19 55.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.111 0.482 . . . . 7.0700000000000003 110.796 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.915 -0.584 . . . . 5.4000000000000004 110.649 178.674 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 311' ' ' MET . . . . . 0.471 ' HA ' ' CE ' ' A' ' 311' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 121.016 0.436 . . . . 17.920000000000002 110.667 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -85.0 85.44 7.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.386 0.612 . . . . 13.49 110.642 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -87.29 48.64 1.68 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.663 0.744 . . . . 14.59 109.75 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.73 15.08 79.52 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.57 -0.741 . . . . 10.31 111.76 -175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -83.63 -32.06 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.738 0.304 . . . . 10.039999999999999 111.493 -176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -94.78 20.56 8.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.963 0.411 . . . . 11.73 111.034 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.6 m -73.48 123.62 24.25 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.56 -0.533 . . . . 8.0099999999999998 109.56 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 58.9 mt -94.22 130.95 42.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 6.9299999999999997 110.724 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.462 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 4.5 m-20 -66.97 124.32 88.44 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 6.5899999999999999 109.869 176.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 35.2 Cg_exo -62.52 142.41 90.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.155 2.57 . . . . 5.2800000000000002 112.508 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -139.75 -51.14 0.5 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.735 -0.666 . . . . 5.4699999999999998 109.415 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.2 ttp -64.8 -38.79 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 8.6300000000000008 110.648 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.82 -31.99 65.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.418 0.628 . . . . 7.3200000000000003 109.623 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.934 -1.03 . . . . 3.8700000000000001 110.723 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -73.22 -34.82 66.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.955 -0.566 . . . . 5.4000000000000004 111.255 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.44 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 5.3899999999999997 111.19 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -68.09 -33.07 73.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 5.5199999999999996 110.674 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.37 -28.9 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.161 -0.472 . . . . 4.1600000000000001 111.111 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.48 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 5.1399999999999997 111.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.21 -29.28 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 5.96 110.964 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -65.2 -27.94 69.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 5.2599999999999998 110.752 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.5 t -96.35 -24.24 16.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 5.25 110.816 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 35.4 t -61.54 -51.18 69.67 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.397 -0.365 . . . . 6.1799999999999997 110.821 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -134.37 172.92 12.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.531 -0.544 . . . . 7.9699999999999998 109.531 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.97 48.78 4.01 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.346 -1.101 . . . . 4.6799999999999997 110.346 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 163.57 13.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.59 -0.805 . . . . 5.0800000000000001 110.342 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 21.0 mmt -81.79 151.25 27.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.872 -0.604 . . . . 8.0600000000000005 110.43 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.09 -36.29 93.06 Favored Glycine 0 CA--C 1.504 -0.619 0 CA-C-N 114.882 -1.054 . . . . 4.6399999999999997 113.387 -169.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.32 -13.5 59.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.737 0.303 . . . . 9.1300000000000008 111.141 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.3 -33.08 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 7.0700000000000003 110.038 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -99.85 96.28 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 5.4000000000000004 109.565 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 26.4 m -68.59 -13.25 62.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.469 . . . . 6.25 112.067 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 343' ' ' ARG . . . . . 0.499 ' HA ' ' HD3' ' A' ' 343' ' ' ARG . 13.0 mmt180 -77.9 89.29 4.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.396 0.617 . . . . 8.4900000000000002 110.362 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -96.52 143.4 27.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.11 -0.95 . . . . 6.0999999999999996 109.507 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -96.75 145.56 25.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.843 0.354 . . . . 6.96 110.549 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -116.98 141.55 48.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.068 -0.514 . . . . 6.4100000000000001 110.385 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 19.7 m -91.26 86.35 6.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.181 -0.463 . . . . 7.46 110.612 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 115.32 173.13 17.48 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.819 -0.705 . . . . 5.6799999999999997 112.261 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.03 47.93 2.39 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.127 2.551 . . . . 6.9100000000000001 112.489 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.9 m -79.21 -14.53 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.055 -0.521 . . . . 8.2400000000000002 111.072 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.01 -43.31 97.56 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.117 -0.564 . . . . 7.9100000000000001 112.814 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 64.45 89.8 0.09 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.535 0.684 . . . . 7.5999999999999996 110.734 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -105.76 1.39 26.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.623 -0.717 . . . . 9.1500000000000004 110.638 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.6 146.68 49.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 8.6799999999999997 110.324 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -93.49 -26.29 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 9.5500000000000007 110.098 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -70.39 117.15 11.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.476 -0.565 . . . . 9.4800000000000004 109.476 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 100.39 -3.57 56.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.034 -0.826 . . . . 9.3399999999999999 111.034 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -99.33 112.69 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.91 0.386 . . . . 9.9700000000000006 110.408 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 85.3 mtp -122.84 116.71 24.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.547 . . . . 12.029999999999999 110.199 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.459 -0.781 . . . . 13.470000000000001 109.756 178.339 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.932 0.396 . . . . 17.920000000000002 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -126.25 33.61 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.713 0.768 . . . . 13.49 109.881 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -81.01 127.29 32.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.202 -0.908 . . . . 14.59 110.331 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 98.73 -0.19 57.86 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.046 -0.597 . . . . 10.31 111.807 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -82.85 -30.77 28.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.941 0.4 . . . . 10.039999999999999 110.998 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.0 -6.05 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.161 0.505 . . . . 11.73 110.699 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 20.4 m -73.98 134.03 43.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.834 -0.621 . . . . 8.0099999999999998 109.968 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 49.6 mm -90.32 -45.98 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 6.9299999999999997 111.127 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.473 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 8.8 t30 -85.57 124.92 70.7 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.395 -0.366 . . . . 6.5899999999999999 110.488 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 18.7 Cg_exo -67.33 161.3 43.73 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.356 2.704 . . . . 5.2800000000000002 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -137.71 -51.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.64 -0.709 . . . . 5.4699999999999998 109.518 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.07 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 8.6300000000000008 109.824 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.7 mtp -79.84 -21.55 44.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.721 . . . . 7.3200000000000003 110.512 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.22 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.637 -0.711 . . . . 3.8700000000000001 110.908 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.93 -43.35 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 5.4000000000000004 110.296 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.12 99.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 5.3899999999999997 110.839 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.62 -36.51 80.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.116 -0.493 . . . . 5.5199999999999996 111.171 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.99 -29.19 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.35 -0.387 . . . . 4.1600000000000001 111.09 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.49 89.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 5.1399999999999997 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.04 -39.96 79.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 5.96 111.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.46 -26.01 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 5.2599999999999998 110.927 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.4 t -87.71 -35.79 17.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.97 -0.559 . . . . 5.25 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 49.7 m -66.15 -51.09 61.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.488 -0.324 . . . . 6.1799999999999997 111.403 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -129.54 150.15 51.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 7.9699999999999998 110.199 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.35 8.83 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.108 -1.597 . . . . 4.6799999999999997 109.108 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.23 134.6 57.15 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.832 -0.684 . . . . 5.0800000000000001 111.889 -171.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.7 mmt -74.03 149.05 41.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.079 -0.964 . . . . 8.0600000000000005 110.65 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -61.97 -35.54 91.54 Favored Glycine 0 CA--C 1.505 -0.542 0 CA-C-N 115.421 -0.808 . . . . 4.6399999999999997 111.904 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -59.57 -18.41 40.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.446 0.536 . . . . 9.1300000000000008 112.446 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 -23.59 59.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.752 0.31 . . . . 7.0700000000000003 110.929 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -66.35 130.79 44.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.069 -0.514 . . . . 5.4000000000000004 110.73 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 14.5 t -64.25 140.14 58.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.799 -0.637 . . . . 6.25 109.611 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -84.24 123.19 29.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.367 -0.379 . . . . 8.4900000000000002 110.721 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -90.26 143.42 26.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 6.0999999999999996 110.448 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -94.35 146.41 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.92 -0.582 . . . . 6.96 110.067 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -88.21 141.8 28.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.439 -0.578 . . . . 6.4100000000000001 109.439 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.5 m -57.55 122.32 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.685 -0.689 . . . . 7.46 111.445 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.22 28.27 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.901 -0.666 . . . . 5.6799999999999997 112.01 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.4 170.0 11.6 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.214 2.609 . . . . 6.9100000000000001 112.394 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.62 -11.14 60.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.512 -0.767 . . . . 8.2400000000000002 111.256 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -59.9 -31.26 71.64 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.202 -0.454 . . . . 7.9100000000000001 112.14 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 73.17 -65.74 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.535 0.734 . . . . 7.5999999999999996 111.425 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -111.25 -36.18 5.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.632 0.253 . . . . 9.1500000000000004 110.948 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.8 58.14 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.082 0.467 . . . . 8.6799999999999997 110.325 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -91.39 -16.75 26.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 9.5500000000000007 110.195 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -109.4 144.6 37.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 9.4800000000000004 109.978 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.73 18.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.617 -0.801 . . . . 9.3399999999999999 111.471 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 42.0 t-20 -84.37 -41.91 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.252 -0.647 . . . . 9.9700000000000006 109.252 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 95.1 mmm -118.67 114.67 23.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 12.029999999999999 110.076 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.646 -0.692 . . . . 13.470000000000001 109.994 -179.253 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.009 0.433 . . . . 17.920000000000002 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -98.73 108.78 21.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 13.49 110.058 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.47 106.41 9.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.187 -0.461 . . . . 14.59 110.191 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 102.79 16.38 21.95 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.368 -0.693 . . . . 10.31 111.368 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.21 59.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 10.039999999999999 111.659 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -84.31 0.65 48.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 11.73 111.151 -176.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.1 t -81.29 123.35 28.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.346 -0.613 . . . . 8.0099999999999998 109.346 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 64.9 mt -103.2 -40.69 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 6.9299999999999997 111.04 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 95.2 m-20 -96.62 139.14 21.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 6.5899999999999999 110.895 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 47.6 Cg_exo -56.31 126.2 21.57 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.213 2.609 . . . . 5.2800000000000002 112.605 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -139.7 -50.05 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.272 0.558 . . . . 5.4699999999999998 109.898 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.4 ttm -63.41 -37.34 86.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.105 -0.952 . . . . 8.6300000000000008 110.526 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 25.1 ptm -87.11 -24.36 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 7.3200000000000003 110.378 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.09 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 3.8700000000000001 110.743 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.5 88.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 5.4000000000000004 111.249 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 5.3899999999999997 110.989 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.13 -22.76 62.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 5.5199999999999996 111.473 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -72.12 -27.5 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.873 0.368 . . . . 4.1600000000000001 111.113 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.44 63.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 5.1399999999999997 111.531 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.16 -42.9 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 5.96 111.379 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.45 -26.69 68.56 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.377 -0.374 . . . . 5.2599999999999998 111.234 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.3 m -76.89 -24.9 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 5.25 110.726 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 7.2 t -93.7 -48.57 6.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.104 -0.498 . . . . 6.1799999999999997 110.537 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -132.96 144.97 50.47 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.269 -0.423 . . . . 7.9699999999999998 110.404 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 88.48 19.18 53.25 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.578 -1.009 . . . . 4.6799999999999997 110.578 -171.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.68 116.81 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.686 -0.757 . . . . 5.0800000000000001 110.192 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.652 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 88.6 mtp -78.32 141.03 38.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 8.0600000000000005 110.459 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.19 -36.61 92.04 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.311 -0.859 . . . . 4.6399999999999997 112.411 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.2 ptp -64.37 -18.05 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.574 0.213 . . . . 9.1300000000000008 111.574 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.652 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 79.6 mt -70.67 -23.48 62.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.004 0.43 . . . . 7.0700000000000003 110.239 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -80.44 110.75 16.19 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.036 -0.727 . . . . 5.4000000000000004 109.036 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 31.9 m -80.79 87.7 5.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.982 0.42 . . . . 6.25 112.0 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 343' ' ' ARG . . . . . 0.505 ' HE ' ' HB2' ' A' ' 343' ' ' ARG . 0.0 OUTLIER -99.6 104.31 16.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.632 -0.877 . . . . 8.4900000000000002 108.632 170.436 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -105.52 143.52 33.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.801 0.334 . . . . 6.0999999999999996 110.344 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.24 126.11 36.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.024 -0.534 . . . . 6.96 109.997 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -99.19 131.52 45.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.237 -0.653 . . . . 6.4100000000000001 109.237 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 12.8 p -84.3 157.72 21.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.422 . . . . 7.46 111.441 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.6 -177.65 19.61 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.836 -0.62 . . . . 5.6799999999999997 111.756 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -61.36 -15.79 42.88 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.219 2.612 . . . . 6.9100000000000001 113.158 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 22.0 p -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 8.2400000000000002 111.769 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.22 89.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.994 -0.622 . . . . 7.9100000000000001 112.558 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.7 -79.12 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.323 0.649 . . . . 7.5999999999999996 111.194 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -122.48 177.99 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.395 -0.366 . . . . 9.1500000000000004 110.841 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.513 ' H ' ' CD ' ' A' ' 354' ' ' GLN . 2.7 pm0 -82.8 -155.17 0.15 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 8.6799999999999997 110.732 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.64 -3.68 42.16 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.277 -0.264 . . . . 9.5500000000000007 111.139 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 67.17 -174.55 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.798 -0.637 . . . . 9.4800000000000004 111.282 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 85.0 0.54 88.99 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.062 -1.215 . . . . 9.3399999999999999 110.062 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -99.25 -14.94 19.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.75 -0.725 . . . . 9.9700000000000006 110.197 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 93.4 mmm -83.47 105.66 14.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.875 -0.602 . . . . 12.029999999999999 110.691 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.277 -0.868 . . . . 13.470000000000001 109.202 178.321 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.68 -0.489 . . . . 17.920000000000002 109.68 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -110.77 97.47 6.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 13.49 110.708 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -113.99 -179.58 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.008 -0.542 . . . . 14.59 110.758 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 81.55 16.37 73.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.093 -0.575 . . . . 10.31 113.893 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -70.93 -42.76 69.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.26 0.53 . . . . 10.039999999999999 111.135 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -91.37 21.18 4.65 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.058 -0.519 . . . . 11.73 111.558 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.9 p -65.28 130.7 44.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 8.0099999999999998 110.84 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.91 26.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.491 . . . . 6.9299999999999997 111.58 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -94.68 104.57 14.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.606 -0.516 . . . . 6.5899999999999999 109.606 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.558 ' HB2' ' HB2' ' A' ' 323' ' ' MET . 89.2 Cg_endo -79.23 151.12 23.14 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.669 2.246 . . . . 5.2800000000000002 112.844 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -127.4 -42.14 1.68 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.545 -0.752 . . . . 5.4699999999999998 109.351 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 68.2 mtm -70.04 -37.41 75.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.868 -0.605 . . . . 8.6300000000000008 109.941 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 320' ' ' PRO . 2.1 mpt? -78.0 -27.55 49.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.726 . . . . 7.3200000000000003 109.505 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.48 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.228 -0.896 . . . . 3.8700000000000001 110.359 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.41 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.077 -0.511 . . . . 5.4000000000000004 110.284 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.38 99.06 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.028 -0.533 . . . . 5.3899999999999997 110.447 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 331' ' ' GLN . 57.4 tp60 -67.21 -41.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 5.5199999999999996 110.337 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.6 98.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 4.1600000000000001 110.978 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.75 74.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.522 . . . . 5.1399999999999997 110.93 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.06 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 5.96 110.449 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 327' ' ' GLN . 90.7 mt-30 -65.5 -26.84 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.916 -0.584 . . . . 5.2599999999999998 111.326 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.0 m -94.71 -24.39 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.02 0.438 . . . . 5.25 110.71 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 20.1 m -81.61 -42.29 20.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 6.1799999999999997 111.146 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -125.96 150.15 48.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.008 -0.542 . . . . 7.9699999999999998 109.611 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.07 44.56 6.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.518 -0.849 . . . . 4.6799999999999997 111.66 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.6 tpp -70.26 120.54 16.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 5.0800000000000001 110.359 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.589 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 80.5 mtp -75.39 150.65 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.602 -0.726 . . . . 8.0600000000000005 110.549 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.64 93.37 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 116.024 -0.535 . . . . 4.6399999999999997 112.015 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.6 tpp -65.86 -25.61 67.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 9.1300000000000008 110.936 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 67.7 mt -88.25 -1.79 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 7.0700000000000003 111.081 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -107.81 151.91 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 5.4000000000000004 110.759 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 2.6 p -81.54 139.29 35.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.533 . . . . 6.25 110.166 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -109.34 100.45 9.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.881 0.372 . . . . 8.4900000000000002 110.947 -173.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -92.38 144.82 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.049 -0.523 . . . . 6.0999999999999996 110.028 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.79 125.58 29.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 6.96 110.166 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -114.43 132.28 56.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.92 0.391 . . . . 6.4100000000000001 110.955 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.9 t -103.09 -35.69 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 7.46 110.098 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 119.23 95.01 1.6 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.617 -0.801 . . . . 5.6799999999999997 112.78 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -92.82 36.17 0.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.276 2.651 . . . . 6.9100000000000001 111.723 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.2 t -66.81 -24.81 66.22 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.835 -0.62 . . . . 8.2400000000000002 110.874 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 351' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 355' ' ' ASN . . . -59.99 -33.67 80.02 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 116.048 -0.524 . . . . 7.9100000000000001 111.8 175.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 62.82 27.97 16.25 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.2 0.6 . . . . 7.5999999999999996 111.053 174.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 69.78 -58.66 0.52 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.564 0.746 . . . . 9.1500000000000004 110.832 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -149.19 82.81 1.43 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.272 -1.01 . . . . 8.6799999999999997 108.272 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 355' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 351' ' ' GLY . 39.6 t-20 -74.53 -39.47 62.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 9.5500000000000007 110.981 -171.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 61.34 -166.63 0.21 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.01 -0.541 . . . . 9.4800000000000004 110.922 -177.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.09 62.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.58 -0.819 . . . . 9.3399999999999999 112.706 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -91.1 -4.18 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.097 0.406 . . . . 9.9700000000000006 112.097 -175.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -109.41 121.94 46.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 12.029999999999999 110.724 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.373 -0.822 . . . . 13.470000000000001 110.291 -179.068 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.529 0.204 . . . . 17.920000000000002 110.673 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.14 43.09 29.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.878 -0.601 . . . . 13.49 111.831 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -74.4 116.75 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.095 -0.502 . . . . 14.59 110.155 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 83.55 16.4 68.65 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.989 -0.624 . . . . 10.31 112.3 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.16 71.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 10.039999999999999 111.398 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.22 0.6 55.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 11.73 110.706 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 39.3 m -90.24 165.18 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.916 -0.583 . . . . 8.0099999999999998 110.396 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 50.5 mm -68.26 136.41 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 6.9299999999999997 110.096 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 12.8 m120 -62.46 133.62 94.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.004 -0.543 . . . . 6.5899999999999999 111.795 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 21.8 Cg_exo -66.06 163.11 32.6 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.357 2.705 . . . . 5.2800000000000002 111.585 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -138.82 -40.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.293 . . . . 5.4699999999999998 110.711 -172.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 17.1 tpt -68.35 -37.75 80.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 8.6300000000000008 110.182 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.0 mmm -78.37 -28.1 47.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.347 0.594 . . . . 7.3200000000000003 109.73 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.01 86.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.252 -0.885 . . . . 3.8700000000000001 110.63 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.99 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.674 . . . . 5.4000000000000004 111.136 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.45 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 5.3899999999999997 111.118 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -69.1 -30.61 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 5.5199999999999996 111.272 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.13 61.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 4.1600000000000001 111.294 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.15 -10.24 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 5.1399999999999997 111.421 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -70.47 -26.12 63.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.061 -0.518 . . . . 5.96 111.182 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.19 -24.96 67.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.534 0.938 . . . . 5.2599999999999998 113.534 -171.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 27.9 t -74.27 -35.24 63.77 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.773 -0.371 . . . . 5.25 110.971 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.6 p -90.89 -50.74 5.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.845 0.355 . . . . 6.1799999999999997 111.265 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -113.69 174.02 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 7.9699999999999998 110.397 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.36 62.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.527 -0.844 . . . . 4.6799999999999997 111.278 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -81.89 139.0 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 5.0800000000000001 110.216 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.9 mmt -100.31 150.81 22.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.216 -0.447 . . . . 8.0600000000000005 110.596 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.22 92.36 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.474 -0.784 . . . . 4.6399999999999997 112.156 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 15.2 tpt -59.77 -20.4 56.44 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.875 0.369 . . . . 9.1300000000000008 111.775 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.06 -32.74 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 7.0700000000000003 110.725 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . 64.29 108.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.776 0.672 . . . . 5.4000000000000004 112.035 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 23.2 t -56.7 134.43 54.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.749 -0.659 . . . . 6.25 110.199 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -80.5 97.19 7.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.267 0.556 . . . . 8.4900000000000002 111.054 -175.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -113.48 162.15 16.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.801 -0.636 . . . . 6.0999999999999996 110.348 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -119.41 126.43 51.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.526 -0.546 . . . . 6.96 109.526 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 346' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 346' ' ' GLN . 15.4 mm-40 -110.0 145.74 36.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.131 0.491 . . . . 6.4100000000000001 111.343 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.7 t -141.4 142.13 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.525 -0.761 . . . . 7.46 109.006 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 159.32 -85.53 0.12 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.263 -0.97 . . . . 5.6799999999999997 112.296 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.46 103.1 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.746 2.297 . . . . 6.9100000000000001 112.219 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.8 m -61.87 -30.28 70.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.056 -0.52 . . . . 8.2400000000000002 111.194 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.55 -33.4 87.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.005 -0.617 . . . . 7.9100000000000001 112.336 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.92 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.613 0.244 . . . . 7.5999999999999996 110.855 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -102.14 107.5 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.183 -0.303 . . . . 9.1500000000000004 110.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.08 136.22 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.877 -0.601 . . . . 8.6799999999999997 109.831 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -70.14 -22.84 62.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 9.5500000000000007 111.57 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.03 128.98 38.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.643 -0.503 . . . . 9.4800000000000004 109.643 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 120.57 11.9 6.38 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.313 -0.715 . . . . 9.3399999999999999 111.313 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -122.62 -163.67 1.11 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.195 -0.502 . . . . 9.9700000000000006 109.983 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -59.07 132.61 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.486 0.184 . . . . 12.029999999999999 111.013 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.277 -0.868 . . . . 13.470000000000001 111.148 -179.792 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.593 0.235 . . . . 17.920000000000002 110.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -143.24 119.96 11.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.727 -0.471 . . . . 13.49 109.727 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -70.47 149.54 47.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.947 -0.39 . . . . 14.59 109.947 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 102.7 -18.8 49.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.809 -0.71 . . . . 10.31 111.51 -174.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.32 47.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.093 0.473 . . . . 10.039999999999999 110.62 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.15 -4.08 58.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.7 -0.682 . . . . 11.73 111.475 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.1 m -65.69 143.17 57.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.693 -0.231 . . . . 8.0099999999999998 110.562 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 7.8 tp -104.8 131.74 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.191 0.52 . . . . 6.9299999999999997 110.933 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -86.05 127.89 60.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.46 -0.57 . . . . 6.5899999999999999 109.46 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.51 75.16 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.982 2.454 . . . . 5.2800000000000002 112.448 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 321' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 324' ' ' ALA . . . -125.98 -34.09 2.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 5.4699999999999998 109.248 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.12 -39.04 92.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.106 -0.497 . . . . 8.6300000000000008 110.103 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 71.0 mtm -78.65 -30.61 46.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.58 -0.736 . . . . 7.3200000000000003 109.259 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 324' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . . . -64.12 -40.57 96.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.204 -0.907 . . . . 3.8700000000000001 110.329 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.38 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 5.4000000000000004 111.077 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.78 80.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 5.3899999999999997 110.496 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.31 -40.96 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 5.5199999999999996 110.719 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -67.31 -24.09 65.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.098 -0.501 . . . . 4.1600000000000001 110.88 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.6 94.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 5.1399999999999997 110.51 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.82 -42.13 97.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 5.96 109.736 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -26.45 68.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 5.2599999999999998 110.88 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.0 m -90.69 -36.31 14.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.317 -0.402 . . . . 5.25 110.941 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 36.0 t -76.75 -40.41 48.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.384 -0.371 . . . . 6.1799999999999997 111.232 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -118.95 168.71 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.263 -0.426 . . . . 7.9699999999999998 110.365 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 70.75 47.26 41.33 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.463 -1.055 . . . . 4.6799999999999997 110.463 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.5 ttm -59.11 139.64 56.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.944 0.402 . . . . 5.0800000000000001 111.189 -175.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.649 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 26.2 mmt -74.31 126.98 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 8.0600000000000005 109.764 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.78 -35.86 91.49 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.406 -0.815 . . . . 4.6399999999999997 112.63 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.26 -12.01 58.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.67 0.271 . . . . 9.1300000000000008 111.268 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 85.5 mt -75.92 -20.83 57.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 7.0700000000000003 110.642 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -97.92 113.03 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 5.4000000000000004 110.2 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 14.2 m -76.33 105.03 7.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.151 -0.477 . . . . 6.25 110.726 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 343' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 343' ' ' ARG . 53.0 mtp180 -78.69 103.96 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.333 0.587 . . . . 8.4900000000000002 110.809 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -90.9 143.75 26.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.339 -0.846 . . . . 6.0999999999999996 110.323 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -109.92 142.76 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.776 0.322 . . . . 6.96 110.419 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -111.04 132.92 53.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.9 0.381 . . . . 6.4100000000000001 110.005 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 49.7 m -80.87 -22.34 39.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 7.46 110.637 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 114.7 -98.6 0.88 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.879 -0.677 . . . . 5.6799999999999997 112.089 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.48 116.28 3.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.91 2.407 . . . . 6.9100000000000001 112.393 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 2.7 p -69.86 -10.74 59.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 8.2400000000000002 111.35 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -63.77 -32.37 83.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.163 -0.541 . . . . 7.9100000000000001 111.772 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 62.9 t30 73.31 17.68 3.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.318 0.58 . . . . 7.5999999999999996 111.112 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -83.21 63.73 7.35 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.963 0.411 . . . . 9.1500000000000004 111.171 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 178.95 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.171 -0.922 . . . . 8.6799999999999997 109.608 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -92.28 -39.27 11.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 9.5500000000000007 110.239 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 60.68 -79.64 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.72 0.808 . . . . 9.4800000000000004 112.654 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 96.87 -7.06 64.84 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.157 -0.544 . . . . 9.3399999999999999 111.946 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -129.44 -3.46 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.782 0.325 . . . . 9.9700000000000006 110.786 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.6 mmt -121.72 109.57 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 12.029999999999999 110.454 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.6 -0.714 . . . . 13.470000000000001 109.873 177.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 311' ' ' MET . . . . . 0.642 ' HB3' ' HD2' ' A' ' 313' ' ' PHE . 1.9 mpt? . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 109.687 -0.486 . . . . 17.920000000000002 109.687 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -91.81 56.22 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 13.49 109.089 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 313' ' ' PHE . . . . . 0.642 ' HD2' ' HB3' ' A' ' 311' ' ' MET . 82.5 m-85 -130.3 134.72 47.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.279 -0.873 . . . . 14.59 109.974 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 72.65 15.88 77.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.984 -0.626 . . . . 10.31 112.263 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -74.17 -30.05 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.293 . . . . 10.039999999999999 111.506 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -101.64 -15.47 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 11.73 110.622 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 39.1 m -91.2 131.07 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 8.0099999999999998 111.081 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 318' ' ' ILE . . . . . 0.582 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 47.0 mm 72.92 -61.21 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 123.186 0.594 . . . . 6.9299999999999997 111.483 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -96.21 101.39 8.5 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.561 0.22 . . . . 6.5899999999999999 110.987 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.582 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 5.7 Cg_exo -79.26 -65.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.636 2.224 . . . . 5.2800000000000002 111.996 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . 174.84 -34.39 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.408 0.623 . . . . 5.4699999999999998 109.37 -176.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 22.5 ttt -62.95 -36.9 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.45 -0.796 . . . . 8.6300000000000008 110.965 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.529 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 48.5 ttm -75.67 -27.89 58.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 7.3200000000000003 109.919 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.9 89.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.558 -0.747 . . . . 3.8700000000000001 110.927 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.33 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.091 0.472 . . . . 5.4000000000000004 110.865 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.37 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 5.3899999999999997 110.692 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 323' ' ' MET . 84.4 mt-30 -61.75 -40.41 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 5.5199999999999996 110.398 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.22 -29.62 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 4.1600000000000001 111.199 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.21 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 5.1399999999999997 111.045 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.26 -28.61 62.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 5.96 110.649 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.43 -32.72 74.5 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.945 -0.57 . . . . 5.2599999999999998 110.745 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 44.4 t -83.1 -23.47 33.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 5.25 110.688 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 52.6 m -77.05 -39.15 51.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.837 -0.62 . . . . 6.1799999999999997 112.027 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.95 153.2 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.013 -0.365 . . . . 7.9699999999999998 110.013 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.58 25.81 31.77 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.626 -0.797 . . . . 4.6799999999999997 111.36 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 92.2 mtp -83.47 149.74 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.787 0.327 . . . . 5.0800000000000001 110.402 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 337' ' ' MET . . . . . 0.456 ' HB3' ' HG ' ' A' ' 340' ' ' LEU . 47.7 tpp -70.67 127.25 32.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.849 -0.614 . . . . 8.0600000000000005 110.143 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.87 92.57 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.538 -0.755 . . . . 4.6399999999999997 112.305 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.23 -22.28 39.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.342 . . . . 9.1300000000000008 111.869 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 340' ' ' LEU . . . . . 0.456 ' HG ' ' HB3' ' A' ' 337' ' ' MET . 86.6 mt -71.06 -19.46 62.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 7.0700000000000003 111.025 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -108.71 25.01 12.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.089 0.471 . . . . 5.4000000000000004 110.149 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 9.0 t -128.58 86.07 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 6.25 110.264 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -85.65 110.12 19.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.368 -0.605 . . . . 8.4900000000000002 109.368 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -90.36 143.26 26.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 6.0999999999999996 111.116 -173.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -99.55 140.93 33.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.54 -0.541 . . . . 6.96 109.54 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 150.45 21.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.221 -0.288 . . . . 6.4100000000000001 110.221 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 48.9 m 64.12 34.91 10.73 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.67 0.606 . . . . 7.46 110.609 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -66.75 145.65 47.2 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.734 -0.666 . . . . 5.6799999999999997 112.748 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.12 -27.65 79.09 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.053 2.502 . . . . 6.9100000000000001 112.315 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 44.4 t -81.89 -40.41 22.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 8.2400000000000002 110.002 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -65.2 -35.53 91.77 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.852 -0.613 . . . . 7.9100000000000001 112.623 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -75.11 131.5 40.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.809 0.338 . . . . 7.5999999999999996 110.661 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.97 0.75 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.671 -0.492 . . . . 9.1500000000000004 109.671 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 68.49 -166.76 0.19 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.281 -0.872 . . . . 8.6799999999999997 111.32 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -65.36 -37.51 87.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 9.5500000000000007 111.089 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.35 113.06 6.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.39 0.614 . . . . 9.4800000000000004 110.703 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 113.04 -7.13 25.37 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.416 -0.811 . . . . 9.3399999999999999 111.474 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -133.89 113.67 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 9.9700000000000006 109.439 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 38.2 tpp -72.02 104.51 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.441 0.639 . . . . 12.029999999999999 110.628 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.348 -0.834 . . . . 13.470000000000001 109.399 -178.882 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 109.679 -0.489 . . . . 17.920000000000002 109.679 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -52.39 149.4 5.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.104 -0.332 . . . . 13.49 110.104 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.01 61.92 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.268 0.47 . . . . 14.59 112.268 -170.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.8 16.9 79.17 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.976 -0.631 . . . . 10.31 112.638 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.1 -29.98 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.089 0.403 . . . . 10.039999999999999 112.089 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.1 -15.73 46.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 11.73 110.79 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 33.1 m -91.79 123.15 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.458 -0.337 . . . . 8.0099999999999998 110.981 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 31.2 pt -119.69 -17.35 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.923 0.392 . . . . 6.9299999999999997 110.759 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 48.8 t30 -96.66 116.1 65.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.224 -0.444 . . . . 6.5899999999999999 110.333 178.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 15.8 Cg_exo -68.44 102.55 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.893 2.395 . . . . 5.2800000000000002 111.978 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -144.65 -55.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.125 0.488 . . . . 5.4699999999999998 109.718 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.3 -36.68 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 8.6300000000000008 110.513 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 23.1 mmt -79.91 -33.4 39.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.75 -0.659 . . . . 7.3200000000000003 110.344 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.52 81.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.585 . . . . 3.8700000000000001 111.085 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.96 85.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.136 -0.484 . . . . 5.4000000000000004 111.206 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.27 67.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 5.3899999999999997 110.637 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -66.87 -40.31 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 5.5199999999999996 111.831 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.9 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.81 0.338 . . . . 4.1600000000000001 111.125 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.84 -34.32 77.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 5.1399999999999997 111.036 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.452 HD22 ' CE3' ' A' ' 334' ' ' TRP . 1.3 tm? -59.25 -53.36 59.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 5.96 109.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.16 -34.3 77.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.062 -0.517 . . . . 5.2599999999999998 111.746 -175.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.6 t -75.81 -28.8 58.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.091 0.472 . . . . 5.25 111.027 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 18.6 t -96.23 -44.25 7.35 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.28 -0.418 . . . . 6.1799999999999997 111.457 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 334' ' ' TRP . . . . . 0.452 ' CE3' HD22 ' A' ' 330' ' ' LEU . 12.3 m-90 -128.0 144.9 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 7.9699999999999998 110.961 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 79.95 34.06 31.54 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.612 -0.804 . . . . 4.6799999999999997 112.731 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 83.6 mtp -70.26 139.35 52.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 5.0800000000000001 110.431 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.55 133.5 48.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.793 -0.639 . . . . 8.0600000000000005 111.178 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.72 -36.34 91.11 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.788 -1.096 . . . . 4.6399999999999997 113.284 -171.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 13.8 tpt -67.92 -38.46 82.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 9.1300000000000008 110.999 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.34 -15.37 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 7.0700000000000003 110.898 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -79.9 75.67 6.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.315 0.579 . . . . 5.4000000000000004 110.378 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 24.3 p -89.95 0.13 57.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.742 -0.663 . . . . 6.25 110.715 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -72.99 103.35 3.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.926 -0.579 . . . . 8.4900000000000002 110.582 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.58 143.14 39.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.53 -0.759 . . . . 6.0999999999999996 109.418 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -76.97 128.14 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.995 0.426 . . . . 6.96 110.524 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -131.08 132.8 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.24 -0.436 . . . . 6.4100000000000001 110.429 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 32.1 t -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 7.46 110.559 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -176.35 -103.16 0.16 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.531 -0.627 . . . . 5.6799999999999997 111.531 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.87 48.04 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.814 2.343 . . . . 6.9100000000000001 111.316 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 5.8 m -82.49 -46.04 13.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.393 -0.821 . . . . 8.2400000000000002 111.023 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -65.81 -52.78 35.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 7.9100000000000001 111.954 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 352' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 355' ' ' ASN . 17.2 m120 -97.99 101.49 12.99 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.041 -0.355 . . . . 7.5999999999999996 110.041 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -65.67 -56.86 9.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.692 -0.686 . . . . 9.1500000000000004 111.22 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -109.15 56.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.09 0.472 . . . . 8.6799999999999997 111.615 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 355' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 352' ' ' ASN . 45.2 t30 -85.59 -38.26 18.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.361 -1.348 . . . . 9.5500000000000007 107.361 166.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -68.31 130.36 42.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.769 -1.105 . . . . 9.4800000000000004 109.066 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 120.44 -8.52 11.11 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.555 -1.018 . . . . 9.3399999999999999 110.555 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -92.39 89.43 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.483 -0.932 . . . . 9.9700000000000006 108.483 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 66.4 mtm -108.8 141.58 40.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.964 -0.562 . . . . 12.029999999999999 111.064 -172.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 C--O 1.247 0.939 0 N-CA-C 109.244 -0.65 . . . . 13.470000000000001 109.244 177.964 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 15.6 tmm? . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.69 -0.485 . . . . 17.920000000000002 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -147.14 93.91 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.567 -0.288 . . . . 13.49 110.992 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 15.0 t80 72.53 152.56 0.12 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.685 -0.689 . . . . 14.59 111.501 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 84.9 -18.81 24.66 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.247 -0.501 . . . . 10.31 113.546 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.68 46.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.076 0.465 . . . . 10.039999999999999 111.396 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -78.85 -8.56 58.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 11.73 111.242 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.6 m -73.03 147.37 45.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.177 -0.465 . . . . 8.0099999999999998 111.49 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 47.8 mm -91.75 108.86 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.867 -0.606 . . . . 6.9299999999999997 110.006 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 319' ' ' ASN . . . . . 0.495 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 13.2 m120 -65.56 128.63 93.96 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 6.5899999999999999 111.261 -175.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 320' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 14.7 Cg_exo -69.6 126.27 13.21 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.012 2.474 . . . . 5.2800000000000002 111.92 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -178.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 5.4699999999999998 109.96 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 16.7 tpt -73.14 -37.71 66.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 8.6300000000000008 110.526 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 22.1 mmt -72.65 -37.02 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.728 0.775 . . . . 7.3200000000000003 109.061 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.37 77.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.415 -1.266 . . . . 3.8700000000000001 111.525 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -78.8 -37.59 40.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.439 -0.346 . . . . 5.4000000000000004 111.03 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.78 95.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 5.3899999999999997 111.549 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.23 -32.44 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 5.5199999999999996 111.277 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.84 61.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 4.1600000000000001 110.719 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.95 -22.66 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 5.1399999999999997 111.089 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.627 ' HG ' ' HZ3' ' A' ' 334' ' ' TRP . 10.2 tt -56.0 -43.37 77.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 5.96 110.647 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -58.52 -35.22 71.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 5.2599999999999998 111.322 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 41.3 m -87.77 -23.76 23.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.323 -0.399 . . . . 5.25 111.377 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 45.8 m -61.09 -39.9 91.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 6.1799999999999997 111.286 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 334' ' ' TRP . . . . . 0.627 ' HZ3' ' HG ' ' A' ' 330' ' ' LEU . 27.3 m-90 -112.85 175.06 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 7.9699999999999998 110.963 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 83.57 28.06 36.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.865 -0.683 . . . . 4.6799999999999997 111.521 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 82.4 mtp -95.52 146.18 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.041 0.448 . . . . 5.0800000000000001 111.027 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 90.6 mtp -73.05 135.23 44.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 8.0600000000000005 110.984 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.62 -35.89 90.55 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.239 -0.891 . . . . 4.6399999999999997 112.515 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.3 ttt -56.53 -32.33 65.0 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.39 0.515 . . . . 9.1300000000000008 112.39 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.0 pp -90.1 -6.84 55.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.884 0.328 . . . . 7.0700000000000003 111.884 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -113.01 -47.22 3.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 5.4000000000000004 111.448 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 47.4 m -77.28 139.95 39.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 6.25 110.762 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -83.43 124.91 31.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.979 -0.555 . . . . 8.4900000000000002 110.248 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -116.4 142.53 46.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.382 -0.599 . . . . 6.0999999999999996 109.382 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.43 127.33 37.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.356 0.598 . . . . 6.96 110.679 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.09 132.82 42.5 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.132 -0.692 . . . . 6.4100000000000001 109.132 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 54.7 p -146.48 157.46 43.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.857 0.36 . . . . 7.46 111.276 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -86.55 151.07 23.9 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.004 -0.617 . . . . 5.6799999999999997 111.662 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 349' ' ' PRO . . . . . 0.474 ' HG2' ' HB3' ' A' ' 352' ' ' ASN . 55.7 Cg_endo -71.48 123.49 9.54 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.592 2.195 . . . . 6.9100000000000001 112.141 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 51.1 m -66.53 -29.41 69.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.643 . . . . 8.2400000000000002 110.346 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.65 87.79 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.718 -0.674 . . . . 7.9100000000000001 111.957 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 352' ' ' ASN . . . . . 0.474 ' HB3' ' HG2' ' A' ' 349' ' ' PRO . 65.7 t30 -114.34 57.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.263 0.554 . . . . 7.5999999999999996 109.639 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -88.16 59.42 5.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.53 0.681 . . . . 9.1500000000000004 109.734 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 354' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 356' ' ' GLN . 28.6 pt20 -169.97 151.38 4.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.386 -0.824 . . . . 8.6799999999999997 109.764 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.54 -1.56 38.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.395 -0.595 . . . . 9.5500000000000007 109.395 173.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 356' ' ' GLN . . . . . 0.434 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . 26.3 mt-30 -64.56 132.03 48.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.349 -0.842 . . . . 9.4800000000000004 109.75 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 117.86 -7.7 15.05 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.764 -0.934 . . . . 9.3399999999999999 110.764 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -61.24 -57.8 10.92 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.363 -0.606 . . . . 9.9700000000000006 109.363 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 13.6 tpt -85.98 122.03 29.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 12.029999999999999 109.461 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.806 -0.616 . . . . 13.470000000000001 110.043 -179.273 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.687 -0.486 . . . . 17.920000000000002 109.687 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 20.9 m120 44.27 88.63 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.762 0.663 . . . . 13.49 112.723 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -75.54 -80.66 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.647 -0.501 . . . . 14.59 109.647 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.87 -15.4 3.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.104 -0.57 . . . . 10.31 113.343 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.62 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 10.039999999999999 111.451 -177.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -80.69 -22.7 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.917 -0.583 . . . . 11.73 110.925 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.6 m -90.28 122.94 33.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.89 -0.411 . . . . 8.0099999999999998 109.89 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 48.8 mm -103.61 128.14 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.205 -0.294 . . . . 6.9299999999999997 110.205 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -92.55 113.23 58.86 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.184 -0.462 . . . . 6.5899999999999999 110.008 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.47 93.9 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.938 2.425 . . . . 5.2800000000000002 112.27 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -135.5 -60.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.226 -0.657 . . . . 5.4699999999999998 109.226 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 13.4 tpt -63.51 -38.4 90.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 8.6300000000000008 110.074 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 323' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 95.8 mmm -77.93 -36.0 49.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.592 -0.731 . . . . 7.3200000000000003 110.537 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.28 94.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 3.8700000000000001 111.003 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.43 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 5.4000000000000004 110.333 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 326' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 330' ' ' LEU . . . -63.66 -41.09 98.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.739 -0.664 . . . . 5.3899999999999997 111.427 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 327' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.4 mm-40 -60.48 -39.95 89.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.011 0.434 . . . . 5.5199999999999996 111.09 -177.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -76.49 -38.68 54.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.372 -0.376 . . . . 4.1600000000000001 111.008 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.02 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 5.1399999999999997 111.925 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 330' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 326' ' ' ALA . 94.5 mt -56.43 -30.32 62.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 5.96 112.184 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -60.82 -52.5 64.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 5.2599999999999998 111.409 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.4 t -84.37 -30.49 25.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.359 . . . . 5.25 111.034 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 24.4 m -70.38 -39.9 74.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.05 -0.523 . . . . 6.1799999999999997 111.897 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -133.53 140.78 47.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 7.9699999999999998 110.998 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.36 -11.58 65.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.991 -0.623 . . . . 4.6799999999999997 112.857 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 50.1 tpp -74.53 118.81 17.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.788 0.327 . . . . 5.0800000000000001 110.622 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.5 mmm -110.4 128.54 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 8.0600000000000005 109.994 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.09 -38.41 92.38 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.468 -0.787 . . . . 4.6399999999999997 113.652 -173.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 80.3 mtp -64.56 -39.94 94.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 9.1300000000000008 112.244 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.26 -17.19 55.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.111 0.482 . . . . 7.0700000000000003 110.796 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -88.64 -9.86 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.915 -0.584 . . . . 5.4000000000000004 110.649 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 42.4 m -148.92 79.71 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 6.25 110.524 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 343' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 343' ' ' ARG . 1.2 tpm_? -79.01 96.79 5.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.343 0.592 . . . . 8.4900000000000002 110.685 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -103.0 148.26 25.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.606 -0.724 . . . . 6.0999999999999996 109.741 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.5 125.78 29.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.729 -0.841 . . . . 6.96 108.729 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -90.63 132.92 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.154 0.502 . . . . 6.4100000000000001 111.606 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 24.3 m -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.627 -0.715 . . . . 7.46 109.809 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -141.07 109.61 0.61 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.431 -0.89 . . . . 5.6799999999999997 112.777 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.89 9.8 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 123.083 2.522 . . . . 6.9100000000000001 111.606 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.8 m -61.59 -35.99 79.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.325 -0.852 . . . . 8.2400000000000002 110.988 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.83 -53.5 34.02 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.855 -0.688 . . . . 7.9100000000000001 112.029 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 64.46 88.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.305 0.574 . . . . 7.5999999999999996 110.789 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -82.54 69.7 9.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.346 0.593 . . . . 9.1500000000000004 109.833 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -118.47 56.18 0.89 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.754 -0.657 . . . . 8.6799999999999997 110.998 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -73.19 -38.21 66.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.424 -0.954 . . . . 9.5500000000000007 108.424 172.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -122.29 -11.07 8.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.069 -0.969 . . . . 9.4800000000000004 109.171 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 104.7 11.94 29.46 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.539 -0.755 . . . . 9.3399999999999999 111.251 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 65.9 t30 71.7 151.6 0.11 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.593 0.757 . . . . 9.9700000000000006 110.62 -175.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -122.37 129.09 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.81 0.338 . . . . 12.029999999999999 110.744 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.26 -0.876 . . . . 13.470000000000001 110.041 179.462 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.415 -0.587 . . . . 5.47 109.415 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.2 ttp -64.8 -38.79 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 8.63 110.648 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.82 -31.99 65.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.418 0.628 . . . . 7.32 109.623 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.934 -1.03 . . . . 3.87 110.723 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -73.22 -34.82 66.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.955 -0.566 . . . . 5.4 111.255 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.44 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 5.39 111.19 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -68.09 -33.07 73.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 5.52 110.674 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.37 -28.9 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.161 -0.472 . . . . 4.16 111.111 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.48 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 5.14 111.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.21 -29.28 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 5.96 110.964 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.2 -27.94 69.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 5.26 110.752 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.5 t -96.35 -24.24 16.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 5.25 110.816 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 35.4 t -61.54 -51.18 69.67 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.397 -0.365 . . . . 6.18 110.821 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -134.37 172.92 12.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.531 -0.544 . . . . 7.97 109.531 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.97 48.78 4.01 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.346 -1.101 . . . . 4.68 110.346 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 163.57 13.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.59 -0.805 . . . . 5.08 110.342 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 21.0 mmt -81.79 151.25 27.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.872 -0.604 . . . . 8.06 110.43 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.09 -36.29 93.06 Favored Glycine 0 CA--C 1.504 -0.619 0 CA-C-N 114.882 -1.054 . . . . 4.64 113.387 -169.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.32 -13.5 59.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.737 0.303 . . . . 9.13 111.141 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.3 -33.08 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 7.07 110.038 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 5.4 109.565 176.689 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 109.518 -0.549 . . . . 5.47 109.518 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.07 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 8.63 109.824 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.7 mtp -79.84 -21.55 44.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.721 . . . . 7.32 110.512 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.22 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.637 -0.711 . . . . 3.87 110.908 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.93 -43.35 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 5.4 110.296 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.12 99.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 5.39 110.839 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.62 -36.51 80.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.116 -0.493 . . . . 5.52 111.171 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.99 -29.19 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.35 -0.387 . . . . 4.16 111.09 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.49 89.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 5.14 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.04 -39.96 79.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 5.96 111.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.46 -26.01 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 5.26 110.927 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.4 t -87.71 -35.79 17.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.97 -0.559 . . . . 5.25 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 49.7 m -66.15 -51.09 61.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.488 -0.324 . . . . 6.18 111.403 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -129.54 150.15 51.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 7.97 110.199 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.35 8.83 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.108 -1.597 . . . . 4.68 109.108 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.23 134.6 57.15 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.832 -0.684 . . . . 5.08 111.889 -171.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.7 mmt -74.03 149.05 41.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.079 -0.964 . . . . 8.06 110.65 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -61.97 -35.54 91.54 Favored Glycine 0 CA--C 1.505 -0.542 0 CA-C-N 115.421 -0.808 . . . . 4.64 111.904 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -59.57 -18.41 40.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.446 0.536 . . . . 9.13 112.446 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 -23.59 59.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.752 0.31 . . . . 7.07 110.929 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 CA-C-N 116.069 -0.514 . . . . 5.4 110.73 179.723 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.272 0.558 . . . . 5.47 109.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.4 ttm -63.41 -37.34 86.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.105 -0.952 . . . . 8.63 110.526 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 25.1 ptm -87.11 -24.36 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 7.32 110.378 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.09 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 3.87 110.743 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.5 88.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 5.4 111.249 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 5.39 110.989 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.13 -22.76 62.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 5.52 111.473 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -72.12 -27.5 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.873 0.368 . . . . 4.16 111.113 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.44 63.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 5.14 111.531 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.16 -42.9 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 5.96 111.379 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.45 -26.69 68.56 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.377 -0.374 . . . . 5.26 111.234 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.3 m -76.89 -24.9 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 5.25 110.726 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 7.2 t -93.7 -48.57 6.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.104 -0.498 . . . . 6.18 110.537 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -132.96 144.97 50.47 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.269 -0.423 . . . . 7.97 110.404 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 88.48 19.18 53.25 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.578 -1.009 . . . . 4.68 110.578 -171.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.68 116.81 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.686 -0.757 . . . . 5.08 110.192 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . 0.652 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 88.6 mtp -78.32 141.03 38.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 8.06 110.459 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.19 -36.61 92.04 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.311 -0.859 . . . . 4.64 112.411 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.2 ptp -64.37 -18.05 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.574 0.213 . . . . 9.13 111.574 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.652 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 79.6 mt -70.67 -23.48 62.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.004 0.43 . . . . 7.07 110.239 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.567 0 N-CA-C 109.036 -0.727 . . . . 5.4 109.036 174.519 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.351 -0.611 . . . . 5.47 109.351 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 68.2 mtm -70.04 -37.41 75.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.868 -0.605 . . . . 8.63 109.941 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.0 -27.55 49.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.726 . . . . 7.32 109.505 176.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.48 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.228 -0.896 . . . . 3.87 110.359 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.41 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.077 -0.511 . . . . 5.4 110.284 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.38 99.06 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.028 -0.533 . . . . 5.39 110.447 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 331' ' ' GLN . 57.4 tp60 -67.21 -41.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 5.52 110.337 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.6 98.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 4.16 110.978 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.75 74.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.522 . . . . 5.14 110.93 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.06 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 5.96 110.449 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 327' ' ' GLN . 20.0 mt-30 -65.5 -26.84 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.916 -0.584 . . . . 5.26 111.326 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.0 m -94.71 -24.39 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.02 0.438 . . . . 5.25 110.71 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 20.1 m -81.61 -42.29 20.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 6.18 111.146 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -125.96 150.15 48.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.008 -0.542 . . . . 7.97 109.611 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.07 44.56 6.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.518 -0.849 . . . . 4.68 111.66 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.6 tpp -70.26 120.54 16.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 5.08 110.359 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . 0.589 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 80.5 mtp -75.39 150.65 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.602 -0.726 . . . . 8.06 110.549 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.64 93.37 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 116.024 -0.535 . . . . 4.64 112.015 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.6 tpp -65.86 -25.61 67.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 9.13 110.936 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 67.7 mt -88.25 -1.79 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 7.07 111.081 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 5.4 110.759 -178.617 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 120.714 0.293 . . . . 5.47 110.711 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 17.1 tpt -68.35 -37.75 80.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 8.63 110.182 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.0 mmm -78.37 -28.1 47.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.347 0.594 . . . . 7.32 109.73 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.01 86.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.252 -0.885 . . . . 3.87 110.63 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.99 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.674 . . . . 5.4 111.136 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.45 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 5.39 111.118 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.883 ' HA ' HE21 ' A' ' 327' ' ' GLN . 0.0 OUTLIER -69.1 -30.61 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 5.52 111.272 -178.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.13 61.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 4.16 111.294 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.15 -10.24 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 5.14 111.421 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -70.47 -26.12 63.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.061 -0.518 . . . . 5.96 111.182 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.19 -24.96 67.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.534 0.938 . . . . 5.26 113.534 -171.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 27.9 t -74.27 -35.24 63.77 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.773 -0.371 . . . . 5.25 110.971 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.6 p -90.89 -50.74 5.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.845 0.355 . . . . 6.18 111.265 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -113.69 174.02 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 7.97 110.397 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.36 62.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.527 -0.844 . . . . 4.68 111.278 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -81.89 139.0 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 5.08 110.216 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.9 mmt -100.31 150.81 22.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.216 -0.447 . . . . 8.06 110.596 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.22 92.36 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.474 -0.784 . . . . 4.64 112.156 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 15.2 tpt -59.77 -20.4 56.44 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.875 0.369 . . . . 9.13 111.775 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.06 -32.74 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 7.07 110.725 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.29 0 O-C-N 123.776 0.672 . . . . 5.4 112.035 -179.447 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 324' ' ' ALA . . . . . . . . 0 N--CA 1.45 -0.462 0 N-CA-C 109.248 -0.649 . . . . 5.47 109.248 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.12 -39.04 92.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.106 -0.497 . . . . 8.63 110.103 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 71.0 mtm -78.65 -30.61 46.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.58 -0.736 . . . . 7.32 109.259 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . . . -64.12 -40.57 96.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.204 -0.907 . . . . 3.87 110.329 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.38 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 5.4 111.077 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.78 80.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 5.39 110.496 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.31 -40.96 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 5.52 110.719 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -67.31 -24.09 65.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.098 -0.501 . . . . 4.16 110.88 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.6 94.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 5.14 110.51 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.82 -42.13 97.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 5.96 109.736 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -26.45 68.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 5.26 110.88 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.0 m -90.69 -36.31 14.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.317 -0.402 . . . . 5.25 110.941 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 36.0 t -76.75 -40.41 48.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.384 -0.371 . . . . 6.18 111.232 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -118.95 168.71 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.263 -0.426 . . . . 7.97 110.365 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 70.75 47.26 41.33 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.463 -1.055 . . . . 4.68 110.463 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.5 ttm -59.11 139.64 56.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.944 0.402 . . . . 5.08 111.189 -175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . 0.649 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 26.2 mmt -74.31 126.98 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 8.06 109.764 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.78 -35.86 91.49 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.406 -0.815 . . . . 4.64 112.63 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.26 -12.01 58.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.67 0.271 . . . . 9.13 111.268 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 85.5 mt -75.92 -20.83 57.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 7.07 110.642 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.2 179.101 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 -0.167 0 CA-C-O 121.408 0.623 . . . . 5.47 109.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 22.5 ttt -62.95 -36.9 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.45 -0.796 . . . . 8.63 110.965 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.529 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 48.5 ttm -75.67 -27.89 58.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 7.32 109.919 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.9 89.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.558 -0.747 . . . . 3.87 110.927 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.33 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.091 0.472 . . . . 5.4 110.865 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.37 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 5.39 110.692 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 323' ' ' MET . 18.9 mt-30 -61.75 -40.41 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 5.52 110.398 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.22 -29.62 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 4.16 111.199 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.21 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 5.14 111.045 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.26 -28.61 62.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 5.96 110.649 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.43 -32.72 74.5 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.945 -0.57 . . . . 5.26 110.745 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 44.4 t -83.1 -23.47 33.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 5.25 110.688 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 52.6 m -77.05 -39.15 51.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.837 -0.62 . . . . 6.18 112.027 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.95 153.2 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.013 -0.365 . . . . 7.97 110.013 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.58 25.81 31.77 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.626 -0.797 . . . . 4.68 111.36 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 92.2 mtp -83.47 149.74 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.787 0.327 . . . . 5.08 110.402 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . 0.456 ' HB3' ' HG ' ' A' ' 340' ' ' LEU . 47.7 tpp -70.67 127.25 32.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.849 -0.614 . . . . 8.06 110.143 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.87 92.57 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.538 -0.755 . . . . 4.64 112.305 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.23 -22.28 39.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.342 . . . . 9.13 111.869 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . 0.456 ' HG ' ' HB3' ' A' ' 337' ' ' MET . 86.6 mt -71.06 -19.46 62.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 7.07 111.025 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.089 0.471 . . . . 5.4 110.149 179.204 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.26 0 CA-C-O 121.125 0.488 . . . . 5.47 109.718 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.3 -36.68 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 8.63 110.513 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 23.1 mmt -79.91 -33.4 39.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.75 -0.659 . . . . 7.32 110.344 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.52 81.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.585 . . . . 3.87 111.085 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.96 85.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.136 -0.484 . . . . 5.4 111.206 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.27 67.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 5.39 110.637 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -66.87 -40.31 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 5.52 111.831 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.9 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.81 0.338 . . . . 4.16 111.125 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.84 -34.32 77.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 5.14 111.036 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.452 HD22 ' CE3' ' A' ' 334' ' ' TRP . 1.3 tm? -59.25 -53.36 59.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 5.96 109.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 331' ' ' GLN . 18.9 mt-30 -64.16 -34.3 77.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.062 -0.517 . . . . 5.26 111.746 -175.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.6 t -75.81 -28.8 58.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.091 0.472 . . . . 5.25 111.027 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 18.6 t -96.23 -44.25 7.35 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.28 -0.418 . . . . 6.18 111.457 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . 0.452 ' CE3' HD22 ' A' ' 330' ' ' LEU . 12.3 m-90 -128.0 144.9 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 7.97 110.961 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 79.95 34.06 31.54 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.612 -0.804 . . . . 4.68 112.731 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 83.6 mtp -70.26 139.35 52.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 5.08 110.431 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.55 133.5 48.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.793 -0.639 . . . . 8.06 111.178 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.72 -36.34 91.11 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.788 -1.096 . . . . 4.64 113.284 -171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 13.8 tpt -67.92 -38.46 82.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 9.13 110.999 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.34 -15.37 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 7.07 110.898 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.315 0.579 . . . . 5.4 110.378 178.545 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.932 0.396 . . . . 5.47 109.96 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 16.7 tpt -73.14 -37.71 66.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 8.63 110.526 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 22.1 mmt -72.65 -37.02 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.728 0.775 . . . . 7.32 109.061 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.37 77.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.415 -1.266 . . . . 3.87 111.525 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -78.8 -37.59 40.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.439 -0.346 . . . . 5.4 111.03 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.78 95.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 5.39 111.549 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.23 -32.44 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 5.52 111.277 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.84 61.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 4.16 110.719 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.95 -22.66 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 5.14 111.089 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.627 ' HG ' ' HZ3' ' A' ' 334' ' ' TRP . 10.2 tt -56.0 -43.37 77.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 5.96 110.647 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -58.52 -35.22 71.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 5.26 111.322 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 41.3 m -87.77 -23.76 23.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.323 -0.399 . . . . 5.25 111.377 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 45.8 m -61.09 -39.9 91.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 6.18 111.286 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . 0.627 ' HZ3' ' HG ' ' A' ' 330' ' ' LEU . 27.3 m-90 -112.85 175.06 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 7.97 110.963 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 83.57 28.06 36.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.865 -0.683 . . . . 4.68 111.521 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 82.4 mtp -95.52 146.18 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.041 0.448 . . . . 5.08 111.027 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 90.6 mtp -73.05 135.23 44.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 8.06 110.984 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.62 -35.89 90.55 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.239 -0.891 . . . . 4.64 112.515 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.3 ttt -56.53 -32.33 65.0 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.39 0.515 . . . . 9.13 112.39 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.0 pp -90.1 -6.84 55.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.884 0.328 . . . . 7.07 111.884 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 5.4 111.448 -176.243 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.226 -0.657 . . . . 5.47 109.226 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 13.4 tpt -63.51 -38.4 90.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 8.63 110.074 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 323' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 95.8 mmm -77.93 -36.0 49.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.592 -0.731 . . . . 7.32 110.537 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.28 94.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 3.87 111.003 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.43 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 5.4 110.333 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 326' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 330' ' ' LEU . . . -63.66 -41.09 98.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.739 -0.664 . . . . 5.39 111.427 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 327' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.4 mm-40 -60.48 -39.95 89.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.011 0.434 . . . . 5.52 111.09 -177.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -76.49 -38.68 54.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.372 -0.376 . . . . 4.16 111.008 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.02 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 5.14 111.925 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 330' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 326' ' ' ALA . 94.5 mt -56.43 -30.32 62.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 5.96 112.184 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -60.82 -52.5 64.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 5.26 111.409 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.4 t -84.37 -30.49 25.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.359 . . . . 5.25 111.034 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 24.4 m -70.38 -39.9 74.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.05 -0.523 . . . . 6.18 111.897 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -133.53 140.78 47.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 7.97 110.998 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.36 -11.58 65.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.991 -0.623 . . . . 4.68 112.857 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 50.1 tpp -74.53 118.81 17.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.788 0.327 . . . . 5.08 110.622 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.5 mmm -110.4 128.54 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 8.06 109.994 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.09 -38.41 92.38 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.468 -0.787 . . . . 4.64 113.652 -173.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 80.3 mtp -64.56 -39.94 94.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 9.13 112.244 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.26 -17.19 55.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.111 0.482 . . . . 7.07 110.796 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 115.915 -0.584 . . . . 5.4 110.649 178.674 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . 0.471 ' CE ' ' HA ' ' A' ' 311' ' ' MET . 2.8 tpt . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 121.016 0.436 . . . . 17.92 110.667 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -85.0 85.44 7.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.386 0.612 . . . . 13.49 110.642 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -87.29 48.64 1.68 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.663 0.744 . . . . 14.59 109.75 177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.73 15.08 79.52 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.57 -0.741 . . . . 10.31 111.76 -175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -83.63 -32.06 25.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.738 0.304 . . . . 10.04 111.493 -176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -94.78 20.56 8.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.963 0.411 . . . . 11.73 111.034 -176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.6 m -73.48 123.62 24.25 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.56 -0.533 . . . . 8.01 109.56 175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 58.9 mt -94.22 130.95 42.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.161 -0.472 . . . . 6.93 110.724 -175.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.462 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 4.5 m-20 -66.97 124.32 88.44 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 6.59 109.869 176.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 35.2 Cg_exo -62.52 142.41 90.09 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.155 2.57 . . . . 5.28 112.508 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -139.75 -51.14 0.5 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.735 -0.666 . . . . 5.47 109.415 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.2 ttp -64.8 -38.79 92.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.797 -0.638 . . . . 8.63 110.648 175.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 64.7 mtt -72.82 -31.99 65.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.418 0.628 . . . . 7.32 109.623 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.05 -40.46 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.934 -1.03 . . . . 3.87 110.723 179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -73.22 -34.82 66.13 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.955 -0.566 . . . . 5.4 111.255 179.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.86 -41.44 87.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.967 0.413 . . . . 5.39 111.19 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -68.09 -33.07 73.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 5.52 110.674 -179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -78.37 -28.9 47.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.161 -0.472 . . . . 4.16 111.111 179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -62.75 -23.48 67.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.957 -0.565 . . . . 5.14 111.361 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.21 -29.28 67.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 5.96 110.964 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -65.2 -27.94 69.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.599 -0.728 . . . . 5.26 110.752 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 22.5 t -96.35 -24.24 16.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.112 -0.494 . . . . 5.25 110.816 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 35.4 t -61.54 -51.18 69.67 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.397 -0.365 . . . . 6.18 110.821 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -134.37 172.92 12.22 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.531 -0.544 . . . . 7.97 109.531 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.97 48.78 4.01 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 110.346 -1.101 . . . . 4.68 110.346 -170.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.97 163.57 13.62 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.59 -0.805 . . . . 5.08 110.342 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 21.0 mmt -81.79 151.25 27.5 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.872 -0.604 . . . . 8.06 110.43 -178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.09 -36.29 93.06 Favored Glycine 0 CA--C 1.504 -0.619 0 CA-C-N 114.882 -1.054 . . . . 4.64 113.387 -169.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.6 mmt -79.32 -13.5 59.6 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.737 0.303 . . . . 9.13 111.141 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.3 -33.08 22.2 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.049 0.452 . . . . 7.07 110.038 175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -99.85 96.28 7.47 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.748 -0.66 . . . . 5.4 109.565 176.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 26.4 m -68.59 -13.25 62.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.167 -0.469 . . . . 6.25 112.067 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . 0.499 ' HA ' ' HD3' ' A' ' 343' ' ' ARG . 13.0 mmt180 -77.9 89.29 4.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.396 0.617 . . . . 8.49 110.362 175.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -96.52 143.4 27.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.11 -0.95 . . . . 6.1 109.507 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -96.75 145.56 25.7 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.843 0.354 . . . . 6.96 110.549 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -116.98 141.55 48.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.068 -0.514 . . . . 6.41 110.385 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 19.7 m -91.26 86.35 6.12 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.181 -0.463 . . . . 7.46 110.612 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 115.32 173.13 17.48 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.819 -0.705 . . . . 5.68 112.261 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.03 47.93 2.39 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 123.127 2.551 . . . . 6.91 112.489 -178.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.9 m -79.21 -14.53 59.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.055 -0.521 . . . . 8.24 111.072 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.01 -43.31 97.56 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 121.117 -0.564 . . . . 7.91 112.814 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 64.45 89.8 0.09 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.535 0.684 . . . . 7.6 110.734 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -105.76 1.39 26.98 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.623 -0.717 . . . . 9.15 110.638 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -70.6 146.68 49.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 8.68 110.324 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -93.49 -26.29 17.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.129 -0.487 . . . . 9.55 110.098 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -70.39 117.15 11.57 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.476 -0.565 . . . . 9.48 109.476 176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 100.39 -3.57 56.58 Favored Glycine 0 N--CA 1.449 -0.496 0 N-CA-C 111.034 -0.826 . . . . 9.34 111.034 -175.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -99.33 112.69 24.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.91 0.386 . . . . 9.97 110.408 178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 85.3 mtp -122.84 116.71 24.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.998 -0.547 . . . . 12.03 110.199 176.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.459 -0.781 . . . . 13.47 109.756 178.339 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.932 0.396 . . . . 17.92 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -126.25 33.61 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.713 0.768 . . . . 13.49 109.881 178.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -81.01 127.29 32.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.202 -0.908 . . . . 14.59 110.331 -177.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 98.73 -0.19 57.86 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 121.046 -0.597 . . . . 10.31 111.807 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -82.85 -30.77 28.4 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.941 0.4 . . . . 10.04 110.998 -177.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -90.0 -6.05 56.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.161 0.505 . . . . 11.73 110.699 -179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 20.4 m -73.98 134.03 43.05 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.834 -0.621 . . . . 8.01 109.968 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 49.6 mm -90.32 -45.98 14.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.257 -0.429 . . . . 6.93 111.127 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.473 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 8.8 t30 -85.57 124.92 70.7 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.395 -0.366 . . . . 6.59 110.488 -177.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 18.7 Cg_exo -67.33 161.3 43.73 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.356 2.704 . . . . 5.28 112.837 -179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -137.71 -51.5 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.64 -0.709 . . . . 5.47 109.518 -179.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 26.2 mmt -64.07 -37.92 89.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.491 -0.777 . . . . 8.63 109.824 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 85.7 mtp -79.84 -21.55 44.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.615 -0.721 . . . . 7.32 110.512 178.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.6 -28.22 67.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.637 -0.711 . . . . 3.87 110.908 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -67.93 -43.35 79.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 5.4 110.296 175.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -62.99 -41.12 99.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.812 -0.631 . . . . 5.39 110.839 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.62 -36.51 80.96 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.116 -0.493 . . . . 5.52 111.171 178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.99 -29.19 58.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.35 -0.387 . . . . 4.16 111.09 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.99 -44.49 89.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.313 -0.403 . . . . 5.14 110.887 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 94.4 mt -58.04 -39.96 79.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.993 -0.549 . . . . 5.96 111.506 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -65.46 -26.01 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.749 -0.659 . . . . 5.26 110.927 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 34.4 t -87.71 -35.79 17.74 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.97 -0.559 . . . . 5.25 110.795 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 49.7 m -66.15 -51.09 61.18 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.488 -0.324 . . . . 6.18 111.403 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -129.54 150.15 51.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.818 0.342 . . . . 7.97 110.199 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.73 38.35 8.83 Favored Glycine 0 N--CA 1.442 -0.914 0 N-CA-C 109.108 -1.597 . . . . 4.68 109.108 -167.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 22.9 ptp -59.23 134.6 57.15 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 114.832 -0.684 . . . . 5.08 111.889 -171.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.7 mmt -74.03 149.05 41.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.079 -0.964 . . . . 8.06 110.65 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -61.97 -35.54 91.54 Favored Glycine 0 CA--C 1.505 -0.542 0 CA-C-N 115.421 -0.808 . . . . 4.64 111.904 -177.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -59.57 -18.41 40.68 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.446 0.536 . . . . 9.13 112.446 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 -23.59 59.78 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 120.752 0.31 . . . . 7.07 110.929 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -66.35 130.79 44.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.069 -0.514 . . . . 5.4 110.73 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 14.5 t -64.25 140.14 58.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.799 -0.637 . . . . 6.25 109.611 176.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 44.4 ttp180 -84.24 123.19 29.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.367 -0.379 . . . . 8.49 110.721 -178.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -90.26 143.42 26.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.252 -0.431 . . . . 6.1 110.448 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -94.35 146.41 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.92 -0.582 . . . . 6.96 110.067 176.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -88.21 141.8 28.26 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.439 -0.578 . . . . 6.41 109.439 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 9.5 m -57.55 122.32 12.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.685 -0.689 . . . . 7.46 111.445 -175.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -147.08 168.22 28.27 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.901 -0.666 . . . . 5.68 112.01 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -65.4 170.0 11.6 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 123.214 2.609 . . . . 6.91 112.394 179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 10.1 t -69.62 -11.14 60.6 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.512 -0.767 . . . . 8.24 111.256 -175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -59.9 -31.26 71.64 Favored Glycine 0 C--N 1.332 0.343 0 CA-C-N 116.202 -0.454 . . . . 7.91 112.14 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 11.6 m120 73.17 -65.74 0.34 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.535 0.734 . . . . 7.6 111.425 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -111.25 -36.18 5.66 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.632 0.253 . . . . 9.15 110.948 179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -83.8 58.14 4.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.082 0.467 . . . . 8.68 110.325 177.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -91.39 -16.75 26.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.854 -0.612 . . . . 9.55 110.195 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -109.4 144.6 37.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.883 -0.599 . . . . 9.48 109.978 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 116.11 4.73 18.18 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.617 -0.801 . . . . 9.34 111.471 -179.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . 0.464 ' C ' HD22 ' A' ' 358' ' ' ASN . 0.2 OUTLIER -84.37 -41.91 16.25 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.252 -0.647 . . . . 9.97 109.252 179.273 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 95.1 mmm -118.67 114.67 23.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.091 -0.504 . . . . 12.03 110.076 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.646 -0.692 . . . . 13.47 109.994 -179.253 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.009 0.433 . . . . 17.92 110.289 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -98.73 108.78 21.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.979 -0.555 . . . . 13.49 110.058 -177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -125.47 106.41 9.77 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.187 -0.461 . . . . 14.59 110.191 -178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 102.79 16.38 21.95 Favored Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.368 -0.693 . . . . 10.31 111.368 -177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -73.92 -23.21 59.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.73 0.3 . . . . 10.04 111.659 -176.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -84.31 0.65 48.3 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.766 0.317 . . . . 11.73 111.151 -176.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 14.1 t -81.29 123.35 28.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.346 -0.613 . . . . 8.01 109.346 177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 64.9 mt -103.2 -40.69 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 120.845 0.355 . . . . 6.93 111.04 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.426 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 95.2 m-20 -96.62 139.14 21.48 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.227 -0.442 . . . . 6.59 110.895 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 47.6 Cg_exo -56.31 126.2 21.57 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.213 2.609 . . . . 5.28 112.605 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -139.7 -50.05 0.49 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.272 0.558 . . . . 5.47 109.898 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 43.4 ttm -63.41 -37.34 86.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.105 -0.952 . . . . 8.63 110.526 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 25.1 ptm -87.11 -24.36 24.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.867 -0.606 . . . . 7.32 110.378 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -69.55 -37.09 76.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 3.87 110.743 -178.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -58.64 -42.5 88.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.651 -0.704 . . . . 5.4 111.249 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.38 -41.71 98.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 5.39 110.989 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -70.13 -22.76 62.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.918 -0.583 . . . . 5.52 111.473 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -72.12 -27.5 62.67 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.873 0.368 . . . . 4.16 111.113 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -69.19 -20.44 63.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.374 -0.375 . . . . 5.14 111.531 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.16 -42.9 99.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.29 -0.414 . . . . 5.96 111.379 -176.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -64.45 -26.69 68.56 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.377 -0.374 . . . . 5.26 111.234 -177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 11.3 m -76.89 -24.9 52.54 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.98 0.419 . . . . 5.25 110.726 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 7.2 t -93.7 -48.57 6.26 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.104 -0.498 . . . . 6.18 110.537 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 44.8 m95 -132.96 144.97 50.47 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-N 116.269 -0.423 . . . . 7.97 110.404 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 88.48 19.18 53.25 Favored Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.578 -1.009 . . . . 4.68 110.578 -171.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.68 116.81 12.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 114.686 -0.757 . . . . 5.08 110.192 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.652 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 88.6 mtp -78.32 141.03 38.75 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.15 0.5 . . . . 8.06 110.459 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.19 -36.61 92.04 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.311 -0.859 . . . . 4.64 112.411 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 22.2 ptp -64.37 -18.05 64.31 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.574 0.213 . . . . 9.13 111.574 -178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.652 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 79.6 mt -70.67 -23.48 62.51 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.004 0.43 . . . . 7.07 110.239 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -80.44 110.75 16.19 Favored 'General case' 0 N--CA 1.448 -0.567 0 N-CA-C 109.036 -0.727 . . . . 5.4 109.036 174.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 31.9 m -80.79 87.7 5.86 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.982 0.42 . . . . 6.25 112.0 -173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . 0.505 ' HE ' ' HB2' ' A' ' 343' ' ' ARG . 0.0 OUTLIER -99.6 104.31 16.08 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.632 -0.877 . . . . 8.49 108.632 170.436 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -105.52 143.52 33.57 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.801 0.334 . . . . 6.1 110.344 -179.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -91.24 126.11 36.22 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.024 -0.534 . . . . 6.96 109.997 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -99.19 131.52 45.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.237 -0.653 . . . . 6.41 109.237 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 12.8 p -84.3 157.72 21.42 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.422 . . . . 7.46 111.441 -174.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -144.6 -177.65 19.61 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.836 -0.62 . . . . 5.68 111.756 178.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -61.36 -15.79 42.88 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.219 2.612 . . . . 6.91 113.158 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 22.0 p -64.21 -26.37 68.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.798 0.332 . . . . 8.24 111.769 -178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.22 89.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.994 -0.622 . . . . 7.91 112.558 179.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 64.7 -79.12 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.323 0.649 . . . . 7.6 111.194 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -122.48 177.99 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.395 -0.366 . . . . 9.15 110.841 -176.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.513 ' H ' ' CD ' ' A' ' 354' ' ' GLN . 2.7 pm0 -82.8 -155.17 0.15 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.941 -0.572 . . . . 8.68 110.732 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.64 -3.68 42.16 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 122.277 -0.264 . . . . 9.55 111.139 -176.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 67.17 -174.55 0.19 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.798 -0.637 . . . . 9.48 111.282 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 85.0 0.54 88.99 Favored Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 110.062 -1.215 . . . . 9.34 110.062 -172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -99.25 -14.94 19.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.75 -0.725 . . . . 9.97 110.197 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 93.4 mmm -83.47 105.66 14.6 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.875 -0.602 . . . . 12.03 110.691 -175.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.277 -0.868 . . . . 13.47 109.202 178.321 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.48 1.052 0 N-CA-C 109.68 -0.489 . . . . 17.92 109.68 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -110.77 97.47 6.87 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.919 0.39 . . . . 13.49 110.708 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -113.99 -179.58 3.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.008 -0.542 . . . . 14.59 110.758 179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 81.55 16.37 73.61 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 121.093 -0.575 . . . . 10.31 113.893 171.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -70.93 -42.76 69.43 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.26 0.53 . . . . 10.04 111.135 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -91.37 21.18 4.65 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.058 -0.519 . . . . 11.73 111.558 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 16.9 p -65.28 130.7 44.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.045 0.45 . . . . 8.01 110.84 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 2.2 pp -108.91 26.51 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.121 -0.491 . . . . 6.93 111.58 -177.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -94.68 104.57 14.75 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.606 -0.516 . . . . 6.59 109.606 175.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.558 ' HB2' ' HB2' ' A' ' 323' ' ' MET . 89.2 Cg_endo -79.23 151.12 23.14 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.669 2.246 . . . . 5.28 112.844 -172.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -127.4 -42.14 1.68 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.545 -0.752 . . . . 5.47 109.351 177.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 68.2 mtm -70.04 -37.41 75.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.868 -0.605 . . . . 8.63 109.941 175.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.558 ' HB2' ' HB2' ' A' ' 320' ' ' PRO . 2.1 mpt? -78.0 -27.55 49.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.602 -0.726 . . . . 7.32 109.505 176.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -70.45 -40.48 73.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.228 -0.896 . . . . 3.87 110.359 178.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.8 -37.41 84.29 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.077 -0.511 . . . . 5.4 110.284 176.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -63.25 -41.38 99.06 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.028 -0.533 . . . . 5.39 110.447 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 331' ' ' GLN . 57.4 tp60 -67.21 -41.51 85.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.108 -0.496 . . . . 5.52 110.337 178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.35 -42.6 98.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.129 -0.487 . . . . 4.16 110.978 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.95 -32.75 74.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.197 0.522 . . . . 5.14 110.93 178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 55.2 tp -64.06 -31.05 72.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 5.96 110.449 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 327' ' ' GLN . 20.0 mt-30 -65.5 -26.84 68.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.916 -0.584 . . . . 5.26 111.326 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 19.0 m -94.71 -24.39 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.02 0.438 . . . . 5.25 110.71 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 20.1 m -81.61 -42.29 20.26 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.965 -0.561 . . . . 6.18 111.146 -179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -125.96 150.15 48.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.008 -0.542 . . . . 7.97 109.611 -178.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 85.07 44.56 6.25 Favored Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.518 -0.849 . . . . 4.68 111.66 -176.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 48.6 tpp -70.26 120.54 16.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.907 0.384 . . . . 5.08 110.359 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.589 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 80.5 mtp -75.39 150.65 38.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.602 -0.726 . . . . 8.06 110.549 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -64.7 -36.64 93.37 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 116.024 -0.535 . . . . 4.64 112.015 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 54.6 tpp -65.86 -25.61 67.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.058 0.456 . . . . 9.13 110.936 177.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.589 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 67.7 mt -88.25 -1.79 58.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 7.07 111.081 -177.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -107.81 151.91 25.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.353 -0.385 . . . . 5.4 110.759 -178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 2.6 p -81.54 139.29 35.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.026 -0.533 . . . . 6.25 110.166 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -109.34 100.45 9.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.881 0.372 . . . . 8.49 110.947 -173.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -92.38 144.82 24.99 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.049 -0.523 . . . . 6.1 110.028 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -76.79 125.58 29.52 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.289 -0.414 . . . . 6.96 110.166 177.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -114.43 132.28 56.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.92 0.391 . . . . 6.41 110.955 -176.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.9 t -103.09 -35.69 8.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.987 -0.551 . . . . 7.46 110.098 176.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 119.23 95.01 1.6 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.617 -0.801 . . . . 5.68 112.78 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -92.82 36.17 0.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.763 0 C-N-CA 123.276 2.651 . . . . 6.91 111.723 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 13.2 t -66.81 -24.81 66.22 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.835 -0.62 . . . . 8.24 110.874 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . 0.473 ' O ' ' HB2' ' A' ' 355' ' ' ASN . . . -59.99 -33.67 80.02 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 116.048 -0.524 . . . . 7.91 111.8 175.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 62.82 27.97 16.25 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.2 0.6 . . . . 7.6 111.053 174.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 69.78 -58.66 0.52 Allowed 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.564 0.746 . . . . 9.15 110.832 -178.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -149.19 82.81 1.43 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.272 -1.01 . . . . 8.68 108.272 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . 0.473 ' HB2' ' O ' ' A' ' 351' ' ' GLY . 39.6 t-20 -74.53 -39.47 62.34 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.859 -0.61 . . . . 9.55 110.981 -171.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 61.34 -166.63 0.21 Allowed 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.01 -0.541 . . . . 9.48 110.922 -177.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 89.77 12.09 62.84 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.58 -0.819 . . . . 9.34 112.706 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -91.1 -4.18 56.48 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.097 0.406 . . . . 9.97 112.097 -175.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 5.0 mpp? -109.41 121.94 46.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.921 0.391 . . . . 12.03 110.724 -178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.373 -0.822 . . . . 13.47 110.291 -179.068 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.529 0.204 . . . . 17.92 110.673 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.14 43.09 29.29 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.878 -0.601 . . . . 13.49 111.831 178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -74.4 116.75 15.43 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.095 -0.502 . . . . 14.59 110.155 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 83.55 16.4 68.65 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.989 -0.624 . . . . 10.31 112.3 -179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -66.33 -31.16 71.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.927 0.394 . . . . 10.04 111.398 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -94.22 0.6 55.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.935 -0.575 . . . . 11.73 110.706 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 39.3 m -90.24 165.18 14.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.916 -0.583 . . . . 8.01 110.396 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 50.5 mm -68.26 136.41 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.056 -0.52 . . . . 6.93 110.096 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.446 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 12.8 m120 -62.46 133.62 94.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 116.004 -0.543 . . . . 6.59 111.795 -175.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 21.8 Cg_exo -66.06 163.11 32.6 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 123.357 2.705 . . . . 5.28 111.585 175.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -138.82 -40.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.714 0.293 . . . . 5.47 110.711 -172.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 17.1 tpt -68.35 -37.75 80.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.226 0.536 . . . . 8.63 110.182 179.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 95.0 mmm -78.37 -28.1 47.03 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.347 0.594 . . . . 7.32 109.73 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.15 -39.01 86.46 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.252 -0.885 . . . . 3.87 110.63 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -62.39 -41.99 99.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.716 -0.674 . . . . 5.4 111.136 178.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -58.5 -46.45 86.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.988 -0.551 . . . . 5.39 111.118 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.883 ' HA ' HE21 ' A' ' 327' ' ' GLN . 0.0 OUTLIER -69.1 -30.61 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 5.52 111.272 -178.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -75.09 -36.13 61.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 4.16 111.294 -178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.15 -10.24 59.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.058 -0.519 . . . . 5.14 111.421 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 35.6 tp -70.47 -26.12 63.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.061 -0.518 . . . . 5.96 111.182 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -65.19 -24.96 67.51 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.534 0.938 . . . . 5.26 113.534 -171.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 27.9 t -74.27 -35.24 63.77 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.773 -0.371 . . . . 5.25 110.971 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 4.6 p -90.89 -50.74 5.72 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 120.845 0.355 . . . . 6.18 111.265 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 94.1 m95 -113.69 174.02 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.248 -0.433 . . . . 7.97 110.397 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 78.79 24.36 62.44 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.527 -0.844 . . . . 4.68 111.278 -174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -81.89 139.0 34.93 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.757 0.313 . . . . 5.08 110.216 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 22.9 mmt -100.31 150.81 22.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.216 -0.447 . . . . 8.06 110.596 -176.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.42 -36.22 92.36 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.474 -0.784 . . . . 4.64 112.156 -176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 15.2 tpt -59.77 -20.4 56.44 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 120.875 0.369 . . . . 9.13 111.775 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 86.5 mt -70.06 -32.74 70.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.633 -0.258 . . . . 7.07 110.725 176.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . 64.29 108.32 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.776 0.672 . . . . 5.4 112.035 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 23.2 t -56.7 134.43 54.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.749 -0.659 . . . . 6.25 110.199 178.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -80.5 97.19 7.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.267 0.556 . . . . 8.49 111.054 -175.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -113.48 162.15 16.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.801 -0.636 . . . . 6.1 110.348 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -119.41 126.43 51.34 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.526 -0.546 . . . . 6.96 109.526 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . 0.401 ' HA ' ' OE1' ' A' ' 346' ' ' GLN . 15.4 mm-40 -110.0 145.74 36.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.131 0.491 . . . . 6.41 111.343 -175.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 22.7 t -141.4 142.13 33.74 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.525 -0.761 . . . . 7.46 109.006 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 159.32 -85.53 0.12 Allowed Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.263 -0.97 . . . . 5.68 112.296 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.46 103.1 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.746 2.297 . . . . 6.91 112.219 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 4.8 m -61.87 -30.28 70.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.056 -0.52 . . . . 8.24 111.194 -177.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.55 -33.4 87.14 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 121.005 -0.617 . . . . 7.91 112.336 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -90.92 -47.95 7.29 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.613 0.244 . . . . 7.6 110.855 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -102.14 107.5 18.61 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 110.183 -0.303 . . . . 9.15 110.183 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -66.08 136.22 55.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.877 -0.601 . . . . 8.68 109.831 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 49.8 m-80 -70.14 -22.84 62.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.301 -0.409 . . . . 9.55 111.57 -175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.03 128.98 38.0 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.643 -0.503 . . . . 9.48 109.643 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 120.57 11.9 6.38 Favored Glycine 0 N--CA 1.45 -0.426 0 N-CA-C 111.313 -0.715 . . . . 9.34 111.313 -172.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -122.62 -163.67 1.11 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.195 -0.502 . . . . 9.97 109.983 177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -59.07 132.61 54.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.486 0.184 . . . . 12.03 111.013 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 . . . . . 0 C--O 1.253 1.259 0 CA-C-O 118.277 -0.868 . . . . 13.47 111.148 -179.792 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 44.2 tpp . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 120.593 0.235 . . . . 17.92 110.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -143.24 119.96 11.16 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.727 -0.471 . . . . 13.49 109.727 177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -70.47 149.54 47.1 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.947 -0.39 . . . . 14.59 109.947 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 102.7 -18.8 49.4 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.809 -0.71 . . . . 10.31 111.51 -174.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -78.22 -23.32 47.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.093 0.473 . . . . 10.04 110.62 177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.15 -4.08 58.56 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.7 -0.682 . . . . 11.73 111.475 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 19.1 m -65.69 143.17 57.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.693 -0.231 . . . . 8.01 110.562 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 7.8 tp -104.8 131.74 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.191 0.52 . . . . 6.93 110.933 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -86.05 127.89 60.11 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 109.46 -0.57 . . . . 6.59 109.46 177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -62.51 75.16 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.982 2.454 . . . . 5.28 112.448 174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 324' ' ' ALA . . . -125.98 -34.09 2.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.441 -0.8 . . . . 5.47 109.248 178.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 67.3 mtt -65.12 -39.04 92.52 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 116.106 -0.497 . . . . 8.63 110.103 174.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 71.0 mtm -78.65 -30.61 46.4 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-N 115.58 -0.736 . . . . 7.32 109.259 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . 0.531 ' HB3' ' HA ' ' A' ' 321' ' ' ALA . . . -64.12 -40.57 96.46 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.204 -0.907 . . . . 3.87 110.329 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -68.61 -34.38 75.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.832 -0.622 . . . . 5.4 111.077 178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.39 -41.78 80.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.032 0.444 . . . . 5.39 110.496 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.31 -40.96 86.04 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 5.52 110.719 177.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -67.31 -24.09 65.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.098 -0.501 . . . . 4.16 110.88 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.09 -39.6 94.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 5.14 110.51 177.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 7.8 tt -60.82 -42.13 97.08 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.131 -0.486 . . . . 5.96 109.736 177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -26.45 68.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.603 -0.726 . . . . 5.26 110.88 179.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.0 m -90.69 -36.31 14.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.317 -0.402 . . . . 5.25 110.941 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 36.0 t -76.75 -40.41 48.48 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.384 -0.371 . . . . 6.18 111.232 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 73.5 m95 -118.95 168.71 10.54 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.263 -0.426 . . . . 7.97 110.365 -176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 70.75 47.26 41.33 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 110.463 -1.055 . . . . 4.68 110.463 -172.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 51.5 ttm -59.11 139.64 56.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.944 0.402 . . . . 5.08 111.189 -175.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.649 ' HB2' ' HG ' ' A' ' 340' ' ' LEU . 26.2 mmt -74.31 126.98 31.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.838 -0.619 . . . . 8.06 109.764 177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -65.78 -35.86 91.49 Favored Glycine 0 N--CA 1.447 -0.615 0 CA-C-N 115.406 -0.815 . . . . 4.64 112.63 -177.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 50.5 ttp -67.26 -12.01 58.99 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.67 0.271 . . . . 9.13 111.268 -177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.649 ' HG ' ' HB2' ' A' ' 337' ' ' MET . 85.5 mt -75.92 -20.83 57.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.974 0.416 . . . . 7.07 110.642 178.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -97.92 113.03 24.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.074 -0.512 . . . . 5.4 110.2 179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 14.2 m -76.33 105.03 7.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.151 -0.477 . . . . 6.25 110.726 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 343' ' ' ARG . 53.0 mtp180 -78.69 103.96 8.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.333 0.587 . . . . 8.49 110.809 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 63.7 mt-30 -90.9 143.75 26.4 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.339 -0.846 . . . . 6.1 110.323 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 26.5 p-10 -109.92 142.76 40.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.776 0.322 . . . . 6.96 110.419 178.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -111.04 132.92 53.83 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.9 0.381 . . . . 6.41 110.005 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 49.7 m -80.87 -22.34 39.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.787 -0.642 . . . . 7.46 110.637 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . 114.7 -98.6 0.88 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.879 -0.677 . . . . 5.68 112.089 178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.48 116.28 3.68 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.91 2.407 . . . . 6.91 112.393 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 2.7 p -69.86 -10.74 59.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.043 -0.526 . . . . 8.24 111.35 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -63.77 -32.37 83.95 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.163 -0.541 . . . . 7.91 111.772 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 62.9 t30 73.31 17.68 3.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.318 0.58 . . . . 7.6 111.112 176.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -83.21 63.73 7.35 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.963 0.411 . . . . 9.15 111.171 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 178.95 -36.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.171 -0.922 . . . . 8.68 109.608 178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -92.28 -39.27 11.6 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.55 -0.75 . . . . 9.55 110.239 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 60.68 -79.64 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.72 0.808 . . . . 9.48 112.654 173.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 96.87 -7.06 64.84 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.157 -0.544 . . . . 9.34 111.946 -175.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -129.44 -3.46 4.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.782 0.325 . . . . 9.97 110.786 179.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 25.6 mmt -121.72 109.57 14.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 12.03 110.454 -176.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 . . . . . 0 C--O 1.246 0.892 0 CA-C-O 118.6 -0.714 . . . . 13.47 109.873 177.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . 0.642 ' HB3' ' HD2' ' A' ' 313' ' ' PHE . 1.9 mpt? . . . . . 0 N--CA 1.483 1.192 0 N-CA-C 109.687 -0.486 . . . . 17.92 109.687 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -91.81 56.22 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.767 0.794 . . . . 13.49 109.089 176.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . 0.642 ' HD2' ' HB3' ' A' ' 311' ' ' MET . 82.5 m-85 -130.3 134.72 47.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.279 -0.873 . . . . 14.59 109.974 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 72.65 15.88 77.76 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.984 -0.626 . . . . 10.31 112.263 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -74.17 -30.05 62.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.714 0.293 . . . . 10.04 111.506 -175.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -101.64 -15.47 17.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.977 0.417 . . . . 11.73 110.622 178.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 39.1 m -91.2 131.07 36.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.965 -0.561 . . . . 8.01 111.081 -177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . 0.582 ' O ' ' HD3' ' A' ' 320' ' ' PRO . 47.0 mm 72.92 -61.21 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 C-N-CA 123.186 0.594 . . . . 6.93 111.483 177.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -96.21 101.39 8.5 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-O 120.561 0.22 . . . . 6.59 110.987 -177.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.582 ' HD3' ' O ' ' A' ' 318' ' ' ILE . 5.7 Cg_exo -79.26 -65.93 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.524 0 C-N-CA 122.636 2.224 . . . . 5.28 111.996 -179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . 174.84 -34.39 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 121.408 0.623 . . . . 5.47 109.37 -176.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 22.5 ttt -62.95 -36.9 84.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.45 -0.796 . . . . 8.63 110.965 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.529 ' O ' ' HG3' ' A' ' 327' ' ' GLN . 48.5 ttm -75.67 -27.89 58.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.119 -0.491 . . . . 7.32 109.919 176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.9 89.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.558 -0.747 . . . . 3.87 110.927 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.33 80.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.091 0.472 . . . . 5.4 110.865 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -68.48 -41.37 80.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.884 -0.598 . . . . 5.39 110.692 178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.529 ' HG3' ' O ' ' A' ' 323' ' ' MET . 18.9 mt-30 -61.75 -40.41 95.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.048 -0.524 . . . . 5.52 110.398 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -68.22 -29.62 68.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.996 -0.547 . . . . 4.16 111.199 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.21 70.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.419 -0.355 . . . . 5.14 111.045 -178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . . . . . . . . . 4.3 pp -73.26 -28.61 62.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.836 0.35 . . . . 5.96 110.649 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -65.43 -32.72 74.5 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.945 -0.57 . . . . 5.26 110.745 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 44.4 t -83.1 -23.47 33.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.155 -0.475 . . . . 5.25 110.688 178.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 52.6 m -77.05 -39.15 51.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.837 -0.62 . . . . 6.18 112.027 -177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -111.95 153.2 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.013 -0.365 . . . . 7.97 110.013 -177.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.58 25.81 31.77 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.626 -0.797 . . . . 4.68 111.36 -173.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 92.2 mtp -83.47 149.74 26.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.787 0.327 . . . . 5.08 110.402 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . 0.456 ' HB3' ' HG ' ' A' ' 340' ' ' LEU . 47.7 tpp -70.67 127.25 32.02 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.849 -0.614 . . . . 8.06 110.143 179.012 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -62.83 -35.87 92.57 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.538 -0.755 . . . . 4.64 112.305 -176.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 66.8 mtt -57.23 -22.28 39.86 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.517 -0.342 . . . . 9.13 111.869 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . 0.456 ' HG ' ' HB3' ' A' ' 337' ' ' MET . 86.6 mt -71.06 -19.46 62.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.789 0.328 . . . . 7.07 111.025 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -108.71 25.01 12.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.089 0.471 . . . . 5.4 110.149 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 9.0 t -128.58 86.07 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.952 -0.567 . . . . 6.25 110.264 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -85.65 110.12 19.06 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.368 -0.605 . . . . 8.49 109.368 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -90.36 143.26 26.92 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.254 -0.43 . . . . 6.1 111.116 -173.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -99.55 140.93 33.02 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.54 -0.541 . . . . 6.96 109.54 176.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.63 150.45 21.7 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.221 -0.288 . . . . 6.41 110.221 -177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 48.9 m 64.12 34.91 10.73 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.67 0.606 . . . . 7.46 110.609 -177.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -66.75 145.65 47.2 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.734 -0.666 . . . . 5.68 112.748 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -62.12 -27.65 79.09 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.053 2.502 . . . . 6.91 112.315 -178.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 44.4 t -81.89 -40.41 22.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.24 -0.436 . . . . 8.24 110.002 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -65.2 -35.53 91.77 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.852 -0.613 . . . . 7.91 112.623 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -75.11 131.5 40.57 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.809 0.338 . . . . 7.6 110.661 177.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.97 0.75 38.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.671 -0.492 . . . . 9.15 109.671 177.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 68.49 -166.76 0.19 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.281 -0.872 . . . . 8.68 111.32 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -65.36 -37.51 87.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.292 -0.413 . . . . 9.55 111.089 178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -69.35 113.06 6.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.39 0.614 . . . . 9.48 110.703 -178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 113.04 -7.13 25.37 Favored Glycine 0 N--CA 1.446 -0.685 0 CA-C-N 115.416 -0.811 . . . . 9.34 111.474 -176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -133.89 113.67 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 9.97 109.439 178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 38.2 tpp -72.02 104.51 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.441 0.639 . . . . 12.03 110.628 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.348 -0.834 . . . . 13.47 109.399 -178.882 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 109.679 -0.489 . . . . 17.92 109.679 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -52.39 149.4 5.69 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.104 -0.332 . . . . 13.49 110.104 173.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -80.01 61.92 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.268 0.47 . . . . 14.59 112.268 -170.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.8 16.9 79.17 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.976 -0.631 . . . . 10.31 112.638 175.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -62.1 -29.98 70.69 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.089 0.403 . . . . 10.04 112.089 -174.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -84.1 -15.73 46.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.849 0.357 . . . . 11.73 110.79 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 33.1 m -91.79 123.15 34.96 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.458 -0.337 . . . . 8.01 110.981 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 31.2 pt -119.69 -17.35 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.923 0.392 . . . . 6.93 110.759 177.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 48.8 t30 -96.66 116.1 65.96 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.224 -0.444 . . . . 6.59 110.333 178.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 15.8 Cg_exo -68.44 102.55 0.84 Allowed 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.893 2.395 . . . . 5.28 111.978 177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -144.65 -55.57 0.34 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.125 0.488 . . . . 5.47 109.718 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 64.2 mtm -64.3 -36.68 84.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 8.63 110.513 177.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 23.1 mmt -79.91 -33.4 39.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.75 -0.659 . . . . 7.32 110.344 178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.28 -40.52 81.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.585 . . . . 3.87 111.085 -176.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -61.59 -37.96 85.83 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.136 -0.484 . . . . 5.4 111.206 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -67.54 -48.27 67.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.241 -0.436 . . . . 5.39 110.637 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -66.87 -40.31 87.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 5.52 111.831 -177.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.9 76.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.81 0.338 . . . . 4.16 111.125 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -65.84 -34.32 77.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 5.14 111.036 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.452 HD22 ' CE3' ' A' ' 334' ' ' TRP . 1.3 tm? -59.25 -53.36 59.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.976 -0.556 . . . . 5.96 109.96 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 331' ' ' GLN . 18.9 mt-30 -64.16 -34.3 77.76 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.062 -0.517 . . . . 5.26 111.746 -175.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 10.6 t -75.81 -28.8 58.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.091 0.472 . . . . 5.25 111.027 -175.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 18.6 t -96.23 -44.25 7.35 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 116.28 -0.418 . . . . 6.18 111.457 -176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . 0.452 ' CE3' HD22 ' A' ' 330' ' ' LEU . 12.3 m-90 -128.0 144.9 51.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.978 0.418 . . . . 7.97 110.961 -174.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 79.95 34.06 31.54 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.612 -0.804 . . . . 4.68 112.731 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 83.6 mtp -70.26 139.35 52.16 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.973 0.416 . . . . 5.08 110.431 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 25.2 mmt -68.55 133.5 48.64 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.793 -0.639 . . . . 8.06 111.178 -177.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.72 -36.34 91.11 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.788 -1.096 . . . . 4.64 113.284 -171.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 13.8 tpt -67.92 -38.46 82.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.778 0.323 . . . . 9.13 110.999 -176.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 95.9 mt -78.34 -15.37 58.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.412 -0.358 . . . . 7.07 110.898 176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -79.9 75.67 6.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.315 0.579 . . . . 5.4 110.378 178.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 24.3 p -89.95 0.13 57.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.742 -0.663 . . . . 6.25 110.715 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -72.99 103.35 3.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.926 -0.579 . . . . 8.49 110.582 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -109.58 143.14 39.7 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.53 -0.759 . . . . 6.1 109.418 177.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 25.1 p-10 -76.97 128.14 33.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.995 0.426 . . . . 6.96 110.524 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -131.08 132.8 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.24 -0.436 . . . . 6.41 110.429 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 32.1 t -82.93 136.05 34.7 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.375 -0.375 . . . . 7.46 110.559 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -176.35 -103.16 0.16 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.531 -0.627 . . . . 5.68 111.531 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -82.87 48.04 2.63 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.814 2.343 . . . . 6.91 111.316 174.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 5.8 m -82.49 -46.04 13.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.393 -0.821 . . . . 8.24 111.023 -175.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -65.81 -52.78 35.29 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.95 -0.568 . . . . 7.91 111.954 177.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . 0.519 ' HB3' ' HB2' ' A' ' 355' ' ' ASN . 17.2 m120 -97.99 101.49 12.99 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.041 -0.355 . . . . 7.6 110.041 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 55.1 m-80 -65.67 -56.86 9.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.692 -0.686 . . . . 9.15 111.22 -177.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -109.15 56.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.09 0.472 . . . . 8.68 111.615 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 352' ' ' ASN . 45.2 t30 -85.59 -38.26 18.64 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.361 -1.348 . . . . 9.55 107.361 166.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -68.31 130.36 42.66 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.769 -1.105 . . . . 9.48 109.066 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 120.44 -8.52 11.11 Favored Glycine 0 N--CA 1.444 -0.811 0 N-CA-C 110.555 -1.018 . . . . 9.34 110.555 -175.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -92.39 89.43 6.8 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 108.483 -0.932 . . . . 9.97 108.483 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 66.4 mtm -108.8 141.58 40.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.964 -0.562 . . . . 12.03 111.064 -172.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 C--O 1.247 0.939 0 N-CA-C 109.244 -0.65 . . . . 13.47 109.244 177.964 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 15.6 tmm? . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.69 -0.485 . . . . 17.92 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -147.14 93.91 2.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.567 -0.288 . . . . 13.49 110.992 -179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 15.0 t80 72.53 152.56 0.12 Allowed 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 115.685 -0.689 . . . . 14.59 111.501 172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 84.9 -18.81 24.66 Favored Glycine 0 CA--C 1.522 0.472 0 C-N-CA 121.247 -0.501 . . . . 10.31 113.546 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -78.73 -22.68 46.18 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.076 0.465 . . . . 10.04 111.396 -178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -78.85 -8.56 58.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 11.73 111.242 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.6 m -73.03 147.37 45.16 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.177 -0.465 . . . . 8.01 111.49 -177.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 47.8 mm -91.75 108.86 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.867 -0.606 . . . . 6.93 110.006 178.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . 0.495 ' HA ' ' HD3' ' A' ' 320' ' ' PRO . 13.2 m120 -65.56 128.63 93.96 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.63 -0.714 . . . . 6.59 111.261 -175.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 319' ' ' ASN . 14.7 Cg_exo -69.6 126.27 13.21 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.012 2.474 . . . . 5.28 111.92 177.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -178.1 -23.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.912 -0.585 . . . . 5.47 109.96 -174.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 16.7 tpt -73.14 -37.71 66.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.137 -0.483 . . . . 8.63 110.526 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . . . . . . . . . 22.1 mmt -72.65 -37.02 68.09 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.728 0.775 . . . . 7.32 109.061 176.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -59.11 -37.37 77.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.415 -1.266 . . . . 3.87 111.525 179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -78.8 -37.59 40.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.439 -0.346 . . . . 5.4 111.03 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.78 95.59 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.086 -0.506 . . . . 5.39 111.549 -179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -63.23 -32.44 73.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.328 -0.396 . . . . 5.52 111.277 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -73.5 -42.84 61.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.478 -0.328 . . . . 4.16 110.719 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -73.95 -22.66 59.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 5.14 111.089 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.627 ' HG ' ' HZ3' ' A' ' 334' ' ' TRP . 10.2 tt -56.0 -43.37 77.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.02 -0.536 . . . . 5.96 110.647 179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -58.52 -35.22 71.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.917 -0.583 . . . . 5.26 111.322 -178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 41.3 m -87.77 -23.76 23.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.323 -0.399 . . . . 5.25 111.377 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 45.8 m -61.09 -39.9 91.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 6.18 111.286 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . 0.627 ' HZ3' ' HG ' ' A' ' 330' ' ' LEU . 27.3 m-90 -112.85 175.06 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.271 -0.422 . . . . 7.97 110.963 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 83.57 28.06 36.95 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.865 -0.683 . . . . 4.68 111.521 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 82.4 mtp -95.52 146.18 24.64 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.041 0.448 . . . . 5.08 111.027 -176.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 90.6 mtp -73.05 135.23 44.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.623 -0.717 . . . . 8.06 110.984 179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -66.62 -35.89 90.55 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.239 -0.891 . . . . 4.64 112.515 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 25.3 ttt -56.53 -32.33 65.0 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 112.39 0.515 . . . . 9.13 112.39 -174.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.0 pp -90.1 -6.84 55.02 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 111.884 0.328 . . . . 7.07 111.884 -176.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -113.01 -47.22 3.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.873 0.368 . . . . 5.4 111.448 -176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 47.4 m -77.28 139.95 39.93 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.08 -0.509 . . . . 6.25 110.762 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -83.43 124.91 31.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.979 -0.555 . . . . 8.49 110.248 -178.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -116.4 142.53 46.74 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.382 -0.599 . . . . 6.1 109.382 177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -92.43 127.33 37.88 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.356 0.598 . . . . 6.96 110.679 -175.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -97.09 132.82 42.5 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.132 -0.692 . . . . 6.41 109.132 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 54.7 p -146.48 157.46 43.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.857 0.36 . . . . 7.46 111.276 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -86.55 151.07 23.9 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.004 -0.617 . . . . 5.68 111.662 177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . 0.474 ' HG2' ' HB3' ' A' ' 352' ' ' ASN . 55.7 Cg_endo -71.48 123.49 9.54 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.592 2.195 . . . . 6.91 112.141 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 51.1 m -66.53 -29.41 69.49 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.784 -0.643 . . . . 8.24 110.346 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.65 87.79 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.718 -0.674 . . . . 7.91 111.957 176.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . 0.474 ' HB3' ' HG2' ' A' ' 349' ' ' PRO . 3.7 t-20 -114.34 57.55 0.7 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.263 0.554 . . . . 7.6 109.639 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -88.16 59.42 5.27 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.53 0.681 . . . . 9.15 109.734 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . 0.434 ' OE1' ' HB2' ' A' ' 356' ' ' GLN . 28.6 pt20 -169.97 151.38 4.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.386 -0.824 . . . . 8.68 109.764 -178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 28.2 p-10 -99.54 -1.56 38.02 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.395 -0.595 . . . . 9.55 109.395 173.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . 0.434 ' HB2' ' OE1' ' A' ' 354' ' ' GLN . 26.3 mt-30 -64.56 132.03 48.72 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.349 -0.842 . . . . 9.48 109.75 176.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 117.86 -7.7 15.05 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.764 -0.934 . . . . 9.34 110.764 -171.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -61.24 -57.8 10.92 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 109.363 -0.606 . . . . 9.97 109.363 173.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 13.6 tpt -85.98 122.03 29.45 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.814 -0.63 . . . . 12.03 109.461 173.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.806 -0.616 . . . . 13.47 110.043 -179.273 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 311' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.687 -0.486 . . . . 17.92 109.687 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 312' ' ' ASN . . . . . . . . . . . . . 20.9 m120 44.27 88.63 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.762 0.663 . . . . 13.49 112.723 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 313' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -75.54 -80.66 0.08 Allowed 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.647 -0.501 . . . . 14.59 109.647 177.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 314' ' ' GLY . . . . . . . . . . . . . . . 73.87 -15.4 3.09 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.104 -0.57 . . . . 10.31 113.343 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 315' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.62 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.923 0.392 . . . . 10.04 111.451 -177.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 316' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -80.69 -22.7 40.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.917 -0.583 . . . . 11.73 110.925 -177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 317' ' ' SER . . . . . . . . . . . . . 15.6 m -90.28 122.94 33.64 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.89 -0.411 . . . . 8.01 109.89 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 318' ' ' ILE . . . . . . . . . . . . . 48.8 mm -103.61 128.14 57.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.205 -0.294 . . . . 6.93 110.205 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 319' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -92.55 113.23 58.86 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.184 -0.462 . . . . 6.59 110.008 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 320' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.47 93.9 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.938 2.425 . . . . 5.28 112.27 -179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 321' ' ' ALA . . . . . . . . . . . . . . . -135.5 -60.17 0.75 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.226 -0.657 . . . . 5.47 109.226 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 322' ' ' MET . . . . . . . . . . . . . 13.4 tpt -63.51 -38.4 90.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.384 -0.825 . . . . 8.63 110.074 175.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 323' ' ' MET . . . . . 0.585 ' O ' ' HG2' ' A' ' 327' ' ' GLN . 95.8 mmm -77.93 -36.0 49.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.592 -0.731 . . . . 7.32 110.537 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.28 94.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 3.87 111.003 -178.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 325' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.43 84.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 5.4 110.333 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 326' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 330' ' ' LEU . . . -63.66 -41.09 98.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.739 -0.664 . . . . 5.39 111.427 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 327' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 323' ' ' MET . 30.4 mm-40 -60.48 -39.95 89.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.011 0.434 . . . . 5.52 111.09 -177.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 328' ' ' ALA . . . . . . . . . . . . . . . -76.49 -38.68 54.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.372 -0.376 . . . . 4.16 111.008 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 329' ' ' ALA . . . . . . . . . . . . . . . -64.64 -45.02 88.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.021 -0.536 . . . . 5.14 111.925 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 330' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 326' ' ' ALA . 94.5 mt -56.43 -30.32 62.68 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.202 -0.454 . . . . 5.96 112.184 -176.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 331' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -60.82 -52.5 64.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.396 -0.365 . . . . 5.26 111.409 -177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 332' ' ' SER . . . . . . . . . . . . . 13.4 t -84.37 -30.49 25.4 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.853 0.359 . . . . 5.25 111.034 -176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 333' ' ' SER . . . . . . . . . . . . . 24.4 m -70.38 -39.9 74.28 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.05 -0.523 . . . . 6.18 111.897 -176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 334' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -133.53 140.78 47.4 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.747 0.308 . . . . 7.97 110.998 -173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 335' ' ' GLY . . . . . . . . . . . . . . . 87.36 -11.58 65.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.991 -0.623 . . . . 4.68 112.857 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 336' ' ' MET . . . . . . . . . . . . . 50.1 tpp -74.53 118.81 17.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.788 0.327 . . . . 5.08 110.622 -178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 337' ' ' MET . . . . . . . . . . . . . 96.5 mmm -110.4 128.54 55.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.057 -0.52 . . . . 8.06 109.994 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 338' ' ' GLY . . . . . . . . . . . . . . . -67.09 -38.41 92.38 Favored Glycine 0 N--CA 1.445 -0.712 0 CA-C-N 115.468 -0.787 . . . . 4.64 113.652 -173.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 339' ' ' MET . . . . . . . . . . . . . 80.3 mtp -64.56 -39.94 94.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.244 0.461 . . . . 9.13 112.244 -174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 340' ' ' LEU . . . . . . . . . . . . . 4.1 pp -79.26 -17.19 55.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.111 0.482 . . . . 7.07 110.796 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 341' ' ' ALA . . . . . . . . . . . . . . . -88.64 -9.86 50.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.915 -0.584 . . . . 5.4 110.649 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 342' ' ' SER . . . . . . . . . . . . . 42.4 m -148.92 79.71 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.062 -0.517 . . . . 6.25 110.524 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 343' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 343' ' ' ARG . 1.2 tpm_? -79.01 96.79 5.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.343 0.592 . . . . 8.49 110.685 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 344' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -103.0 148.26 25.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.606 -0.724 . . . . 6.1 109.741 177.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 345' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -74.5 125.78 29.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.729 -0.841 . . . . 6.96 108.729 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 346' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -90.63 132.92 35.48 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.154 0.502 . . . . 6.41 111.606 -171.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 347' ' ' SER . . . . . . . . . . . . . 24.3 m -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.627 -0.715 . . . . 7.46 109.809 176.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 348' ' ' GLY . . . . . . . . . . . . . . . -141.07 109.61 0.61 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.431 -0.89 . . . . 5.68 112.777 -176.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 349' ' ' PRO . . . . . . . . . . . . . 67.7 Cg_endo -85.89 9.8 3.93 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 123.083 2.522 . . . . 6.91 111.606 175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 350' ' ' SER . . . . . . . . . . . . . 11.8 m -61.59 -35.99 79.41 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.325 -0.852 . . . . 8.24 110.988 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 351' ' ' GLY . . . . . . . . . . . . . . . -64.83 -53.5 34.02 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.855 -0.688 . . . . 7.91 112.029 176.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 352' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 64.46 88.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.305 0.574 . . . . 7.6 110.789 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 353' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -82.54 69.7 9.36 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.346 0.593 . . . . 9.15 109.833 179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 354' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -118.47 56.18 0.89 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.754 -0.657 . . . . 8.68 110.998 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 355' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -73.19 -38.21 66.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.424 -0.954 . . . . 9.55 108.424 172.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 356' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -122.29 -11.07 8.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.069 -0.969 . . . . 9.48 109.171 171.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 357' ' ' GLY . . . . . . . . . . . . . . . 104.7 11.94 29.46 Favored Glycine 0 N--CA 1.451 -0.304 0 CA-C-N 115.539 -0.755 . . . . 9.34 111.251 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 358' ' ' ASN . . . . . . . . . . . . . 65.9 t30 71.7 151.6 0.11 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.593 0.757 . . . . 9.97 110.62 -175.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 359' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -122.37 129.09 51.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.81 0.338 . . . . 12.03 110.744 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 360' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.26 -0.876 . . . . 13.47 110.041 179.462 . . . . . . . . 0 0 . 1 stop_ save_